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Diazanaftalenos

Compuestos heterocíclicos orgánicos que constan de un anillo doble de naftaleno en el que dos de los átomos de carbono han sido reemplazados por átomos de nitrógeno.
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1

2-quinoxalinecarboxaldehído, TRC

CAS: 1593-08-4 Fórmula molecular: C9H6N2O Peso molecular (g/mol): 158.16 Sinónimo: 2-Formylquinoxaline,Quinoxalin-2-carboxaldehyde Nombre IUPAC: quinoxalin-2-carbaldehído SMILES: O=Cc1cnc2ccccc2n1

Sinónimo 2-Formylquinoxaline,Quinoxalin-2-carboxaldehyde
Fórmula molecular C9H6N2O
CAS 1593-08-4
Peso molecular (g/mol) 158.16
SMILES O=Cc1cnc2ccccc2n1
Nombre IUPAC quinoxalin-2-carbaldehído
2

3-(Fenilmetil)-2-[(1E)-2-(3-piridinil)etinilo]-4(3H)-quinazolinona, TRC

CAS: 1290541-46-6 Fórmula molecular: C12 H17 N3 O6 Peso molecular (g/mol): 299.28 Sinónimo: BO 2 Nombre IUPAC: etil 4-amino-1-[(2R,4S,5R)-4-hidroxi-5-(hidroximetil)oxolán-2-il]-2-oxopirimidina-5-carboxilato SMILES: CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N

Sinónimo BO 2
Fórmula molecular C12 H17 N3 O6
CAS 1290541-46-6
Peso molecular (g/mol) 299.28
SMILES CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N
Nombre IUPAC etil 4-amino-1-[(2R,4S,5R)-4-hidroxi-5-(hidroximetil)oxolán-2-il]-2-oxopirimidina-5-carboxilato
3

6,7-Dimetoxiquinazolina-2,4-diona, TRC

CAS: 28888-44-0 Fórmula molecular: C10 H10 N2 O4 Peso molecular (g/mol): 222.2 Sinónimo: 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione,Doxazosin Mesilate Imp. D (EP),2,4(1H,3H)-Quinazolinedione, 6,7-dimethoxy-,6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione,2,5-Dihydroxy-6,7-dimethoxyquinazoline,6,7-Dimethoxy-1H-quinazoline-2,4-dione,6,7-Dimethoxyquinazoline-2,4-diol,6,7-Dimethoxyquinazoline-2,4-dione Nombre IUPAC: 6,7-dimetil-1H-quinazolina-2,4-diona SMILES: COc1cc2NC(=O)NC(=O)c2cc1OC

Sinónimo 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione,Doxazosin Mesilate Imp. D (EP),2,4(1H,3H)-Quinazolinedione, 6,7-dimethoxy-,6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione,2,5-Dihydroxy-6,7-dimethoxyquinazoline,6,7-Dimethoxy-1H-quinazoline-2,4-dione,6,7-Dimethoxyquinazoline-2,4-diol,6,7-Dimethoxyquinazoline-2,4-dione
Fórmula molecular C10 H10 N2 O4
CAS 28888-44-0
Peso molecular (g/mol) 222.2
SMILES COc1cc2NC(=O)NC(=O)c2cc1OC
Nombre IUPAC 6,7-dimetil-1H-quinazolina-2,4-diona
4

Quinoxalina, TRC

CAS: 91-19-0 Fórmula molecular: C8H6N2 Peso molecular (g/mol): 130.15 Sinónimo: 1,4-Benzodiazine,1,4-Diazanaphthalene,1,4-Naphthyridine,Benzo[a]pyrazine,Benzoparadiazine,Benzopyrazine,Phenopiazine,Phenpiazine,Quinazine Nombre IUPAC: quinoxalina SMILES: c1ccc2nccnc2c1

Sinónimo 1,4-Benzodiazine,1,4-Diazanaphthalene,1,4-Naphthyridine,Benzo[a]pyrazine,Benzoparadiazine,Benzopyrazine,Phenopiazine,Phenpiazine,Quinazine
Fórmula molecular C8H6N2
CAS 91-19-0
Peso molecular (g/mol) 130.15
SMILES c1ccc2nccnc2c1
Nombre IUPAC quinoxalina
5

4,5-Didehydro Brimonidina, TRC

CAS: 151110-15-5 Fórmula molecular: C11 H8 Br N5 Peso molecular (g/mol): 290.1187 Sinónimo: 5-Bromo-N-1H-imidazol-2-yl-6-quinoxalinamine,5-Bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine,Brimonidine EP Impurity F Nombre IUPAC: 5-bromo-N-(1H-imidazol-2-il)quinoxalina-6-amina SMILES: Brc1c(Nc2ncc[nH]2)ccc3nccnc13

Sinónimo 5-Bromo-N-1H-imidazol-2-yl-6-quinoxalinamine,5-Bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine,Brimonidine EP Impurity F
Fórmula molecular C11 H8 Br N5
CAS 151110-15-5
Peso molecular (g/mol) 290.1187
SMILES Brc1c(Nc2ncc[nH]2)ccc3nccnc13
Nombre IUPAC 5-bromo-N-(1H-imidazol-2-il)quinoxalina-6-amina
6

Luminol, TRC

CAS: 521-31-3 Fórmula molecular: C8 H7 N3 O2 Peso molecular (g/mol): 177.16 Sinónimo: 1,4-Phthalazinedione, 5-amino-2,3-dihydro-,5-Amino-2,3-dihydro-1,4-phthalazinedione,3-Aminophthalhydrazide,3-Aminophthalic acid hydrazide,3-Aminophthalic hydrazide,5-Amino-1,4-dihydroxyphthalazine,Diogenes reagent,Luminol,NSC 5064 Nombre IUPAC: 5-amino-2,3-dihidroftalacina-1,4-diona SMILES: Nc1cccc2C(=O)NNC(=O)c12

Sinónimo 1,4-Phthalazinedione, 5-amino-2,3-dihydro-,5-Amino-2,3-dihydro-1,4-phthalazinedione,3-Aminophthalhydrazide,3-Aminophthalic acid hydrazide,3-Aminophthalic hydrazide,5-Amino-1,4-dihydroxyphthalazine,Diogenes reagent,Luminol,NSC 5064
Fórmula molecular C8 H7 N3 O2
CAS 521-31-3
Peso molecular (g/mol) 177.16
SMILES Nc1cccc2C(=O)NNC(=O)c12
Nombre IUPAC 5-amino-2,3-dihidroftalacina-1,4-diona
7

Brimonidina-2,3-diona, TRC

CAS: 182627-95-8 Fórmula molecular: C11 H10 Br N5 O2 Peso molecular (g/mol): 324.13 Sinónimo: 2,3-Quinoxalinedione, 5-bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-2,3-quinoxalinedione,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione Nombre IUPAC: 5-bromo-6-(4,5-dihidro-1H-imidazol-2-ilamino)-1,4-dihidroquinoxalina-2,3-diona SMILES: Brc1c(NC2=NCCN2)ccc3NC(=O)C(=O)Nc13

Sinónimo 2,3-Quinoxalinedione, 5-bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-2,3-quinoxalinedione,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
Fórmula molecular C11 H10 Br N5 O2
CAS 182627-95-8
Peso molecular (g/mol) 324.13
SMILES Brc1c(NC2=NCCN2)ccc3NC(=O)C(=O)Nc13
Nombre IUPAC 5-bromo-6-(4,5-dihidro-1H-imidazol-2-ilamino)-1,4-dihidroquinoxalina-2,3-diona
8

O-Desmorfoolinopropil Gefitinib, TRC

CAS: 184475-71-6 Fórmula molecular: C15 H11 Cl F N3 O2 Peso molecular (g/mol): 319.72 Sinónimo: 6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-,4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinol,4-(3-Chloro-4-fluoroanilino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol,N-(3-Chloro-4-fluorophenyl)-6-hydroxy-7-methoxyquinazolin-4-amine,O-Desmorpholinopropyl Gefitinib Nombre IUPAC: 4-(3-cloro-4-fluoroanilino)-7-metoxiquinazolina-6-ol SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O

Sinónimo 6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-,4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinol,4-(3-Chloro-4-fluoroanilino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol,N-(3-Chloro-4-fluorophenyl)-6-hydroxy-7-methoxyquinazolin-4-amine,O-Desmorpholinopropyl Gefitinib
Fórmula molecular C15 H11 Cl F N3 O2
CAS 184475-71-6
Peso molecular (g/mol) 319.72
SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O
Nombre IUPAC 4-(3-cloro-4-fluoroanilino)-7-metoxiquinazolina-6-ol
9

6-Amino-5-bromoquinoxalina, TRC

CAS: 50358-63-9 Fórmula molecular: C8 H6 Br N3 Peso molecular (g/mol): 224.06 Sinónimo: 5-Bromo-6-quinoxalinamine,5-Bromo-6-aminoquinoxaline,5-Bromoquinoxalin-6-amine,6-Amino-5-bromoquinoxaline Nombre IUPAC: 5-bromoquinoxalina-6-amina SMILES: Nc1ccc2nccnc2c1Br

Sinónimo 5-Bromo-6-quinoxalinamine,5-Bromo-6-aminoquinoxaline,5-Bromoquinoxalin-6-amine,6-Amino-5-bromoquinoxaline
Fórmula molecular C8 H6 Br N3
CAS 50358-63-9
Peso molecular (g/mol) 224.06
SMILES Nc1ccc2nccnc2c1Br
Nombre IUPAC 5-bromoquinoxalina-6-amina
10

Lapatinib, TRC

CAS: 231277-92-2 Fórmula molecular: C29 H26 Cl F N4 O4 S Peso molecular (g/mol): 581.06 Sinónimo: 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine,4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline,GSK 572016,GW 572016,GW 572016X,Lapatinib,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methanesulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine,N-[4-(3-Fluorobenzyloxy)-3-chlorophenyl]-6-[5-[[2-(methylsulfonyl)ethylamino]methyl]furan-2-yl]quinazolin-4-amine,Tyverb Nombre IUPAC: N-[3-cloro-4-[(3-fluorofenil)metoxi]fenilo]-6-[5-[(2-metilsulfoniletilamino)metilfurano-2-il]quinazolina-4-amina SMILES: CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2

Sinónimo 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine,4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline,GSK 572016,GW 572016,GW 572016X,Lapatinib,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methanesulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine,N-[4-(3-Fluorobenzyloxy)-3-chlorophenyl]-6-[5-[[2-(methylsulfonyl)ethylamino]methyl]furan-2-yl]quinazolin-4-amine,Tyverb
Fórmula molecular C29 H26 Cl F N4 O4 S
CAS 231277-92-2
Peso molecular (g/mol) 581.06
SMILES CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2
Nombre IUPAC N-[3-cloro-4-[(3-fluorofenil)metoxi]fenilo]-6-[5-[(2-metilsulfoniletilamino)metilfurano-2-il]quinazolina-4-amina
11

2-Amino-3,8-dimetilimidazo[4,5-f]quinoxalina-2-13C, TRC

CAS: 209977-58-2 Fórmula molecular: 13C C10 H11 N5 Peso molecular (g/mol): 214.23 Sinónimo: 3H-Imidazo[4,5-f]quinoxalin-2-amine-2-13C, 3,8-dimethyl- (9CI),3,8-Dimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine-2-13C,2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline-2-13C Nombre IUPAC: 3,8-dimetil(2^{13}C)imidazolo[4,5-f]quinoxalina-2-amina SMILES: Cc1cnc2ccc3c(n[13c](N)n3C)c2n1

Sinónimo 3H-Imidazo[4,5-f]quinoxalin-2-amine-2-13C, 3,8-dimethyl- (9CI),3,8-Dimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine-2-13C,2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline-2-13C
Fórmula molecular 13C C10 H11 N5
CAS 209977-58-2
Peso molecular (g/mol) 214.23
SMILES Cc1cnc2ccc3c(n[13c](N)n3C)c2n1
Nombre IUPAC 3,8-dimetil(2^{13}C)imidazolo[4,5-f]quinoxalina-2-amina
12

Dihidrocloruro de Vatalanib, TRC

CAS: 212141-51-0 Fórmula molecular: C20 H15 Cl N4 . 2 Cl H Peso molecular (g/mol): 419.73 Sinónimo: 1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, hydrochloride (1:2),1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, dihydrochloride (9CI),Vatalanib dihydrochloride Nombre IUPAC: N-(4-clorofenil)-4-(piridina-4-ilmetil)ftalazina-1-amina; Dihidrocloruro SMILES: Cl.Cl.Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1

Sinónimo 1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, hydrochloride (1:2),1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, dihydrochloride (9CI),Vatalanib dihydrochloride
Fórmula molecular C20 H15 Cl N4 . 2 Cl H
CAS 212141-51-0
Peso molecular (g/mol) 419.73
SMILES Cl.Cl.Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1
Nombre IUPAC N-(4-clorofenil)-4-(piridina-4-ilmetil)ftalazina-1-amina; Dihidrocloruro
13

Óxido de azelastina n (mezcla de diasetéromeros), TRC

CAS: 640279-88-5 Fórmula molecular: C22 H24 Cl N3 O2 Peso molecular (g/mol): 397.9 Sinónimo: 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1-oxido-1H-azepin-4-yl)-,Azelastine N-Oxide Nombre IUPAC: 4-[(4-clorofenil)metil]-2-(1-metil-1-oxidoazép-1-ium-4-il)ftalazina-1-una SMILES: C[N+]1([O-])CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O

Sinónimo 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1-oxido-1H-azepin-4-yl)-,Azelastine N-Oxide
Fórmula molecular C22 H24 Cl N3 O2
CAS 640279-88-5
Peso molecular (g/mol) 397.9
SMILES C[N+]1([O-])CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
Nombre IUPAC 4-[(4-clorofenil)metil]-2-(1-metil-1-oxidoazép-1-ium-4-il)ftalazina-1-una
14

Afatinib-des(4-dimetilamino-2-en-1-oxo)butil (Contiene ~8,5% etanol), TRC

CAS: 314771-76-1 Fórmula molecular: C18H16ClFN4O2 Peso molecular (g/mol): 374.8 Sinónimo: N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine,(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine,Des(4-dimethylamino-2-en-1-oxo)butyl Afatinib Nombre IUPAC: 4-N-(3-cloro-4-fluorofenil)-7-[(3S)-oxoxolán-3-il]oxiquinazolina-4,6-diamina SMILES: ClC1=C(F)C=CC(NC2=NC=NC3=CC(O[C@H]4CCOC4)=C(N)C=C32)=C1

Sinónimo N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine,(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine,Des(4-dimethylamino-2-en-1-oxo)butyl Afatinib
Fórmula molecular C18H16ClFN4O2
CAS 314771-76-1
Peso molecular (g/mol) 374.8
SMILES ClC1=C(F)C=CC(NC2=NC=NC3=CC(O[C@H]4CCOC4)=C(N)C=C32)=C1
Nombre IUPAC 4-N-(3-cloro-4-fluorofenil)-7-[(3S)-oxoxolán-3-il]oxiquinazolina-4,6-diamina
15

2-Ethenil-3,4-dihidroquinazolina-4-una, TRC

CAS: 91634-12-7 Fórmula molecular: C10H8N2O Peso molecular (g/mol): 172.18 Nombre IUPAC: 2-etinil-3H-quinazolina-4-una SMILES: Oc1nc(C=C)nc2ccccc12

Fórmula molecular C10H8N2O
CAS 91634-12-7
Peso molecular (g/mol) 172.18
SMILES Oc1nc(C=C)nc2ccccc12
Nombre IUPAC 2-etinil-3H-quinazolina-4-una