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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

Trovafloxacina, TRC

CAS: 147059-72-1 Fórmula molecular: C20H15F3N4O3 Peso molecular (g/mol): 416.35 Sinónimo: 7-((1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid,Turvel,3-Azabicyclo[3.1.0]hexane, 1,8-naphthyridine-3-carboxylic acid derivative,7-[(1alpha,5alpha,6alpha)-6-Amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Nombre IUPAC: 7-[(1R,5S)-6-amino-3-azabiciclo[3.1.0]hexan-3-il]-1-(2,4-difluorofenilo)-6-fluoro-4-oxo-1,8-naftiridina-3-carboxílico SMILES: N[C@@H]1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(=O)O)C(=O)c4cc3F)c5ccc(F)cc5F

Sinónimo 7-((1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid,Turvel,3-Azabicyclo[3.1.0]hexane, 1,8-naphthyridine-3-carboxylic acid derivative,7-[(1alpha,5alpha,6alpha)-6-Amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid
Fórmula molecular C20H15F3N4O3
CAS 147059-72-1
Peso molecular (g/mol) 416.35
SMILES N[C@@H]1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(=O)O)C(=O)c4cc3F)c5ccc(F)cc5F
Nombre IUPAC 7-[(1R,5S)-6-amino-3-azabiciclo[3.1.0]hexan-3-il]-1-(2,4-difluorofenilo)-6-fluoro-4-oxo-1,8-naftiridina-3-carboxílico
2

Erastin, TRC

CAS: 571203-78-6 Fórmula molecular: C30H31ClN4O4 Peso molecular (g/mol): 547.04 Sinónimo: 2-[1-[4-[2-(4-Chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-quinazolinone Nombre IUPAC: 2-(1-(4-(2-(4-(4-clorofenoxi)acetil)piperazina-1-il)etil)-3-(2-etoxifenil)quinazolina-4(3H)-una SMILES: O=C1N(C2=CC=CC=C2OCC)C(C(N3CCN(C(COC4=CC=C(Cl)C=C4)=O)CC3)C)=NC5=C1C=CC=C5

Sinónimo 2-[1-[4-[2-(4-Chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-quinazolinone
Fórmula molecular C30H31ClN4O4
CAS 571203-78-6
Peso molecular (g/mol) 547.04
SMILES O=C1N(C2=CC=CC=C2OCC)C(C(N3CCN(C(COC4=CC=C(Cl)C=C4)=O)CC3)C)=NC5=C1C=CC=C5
Nombre IUPAC 2-(1-(4-(2-(4-(4-clorofenoxi)acetil)piperazina-1-il)etil)-3-(2-etoxifenil)quinazolina-4(3H)-una
3

Enoxacina Sesquihidrato, TRC

CAS: 84294-96-2 Fórmula molecular: 2 C15 H17 F N4 O3 . 3 H2 O Peso molecular (g/mol): 694.68 Sinónimo: 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-Naphthyridine-3-carboxylic Acid Hydrate (2:3),Enoxacin Sesquihydrate,1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrate (2:3) (9CI, ACI) Nombre IUPAC: 1-etil-6-fluoro-4-oxo-7-piperazina-1-il-1,8-naftiridina-3-carboxílico; trihidrato SMILES: O.O.O.CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3.CCN4C=C(C(=O)O)C(=O)c5cc(F)c(nc45)N6CCNCC6

Sinónimo 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-Naphthyridine-3-carboxylic Acid Hydrate (2:3),Enoxacin Sesquihydrate,1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrate (2:3) (9CI, ACI)
Fórmula molecular 2 C15 H17 F N4 O3 . 3 H2 O
CAS 84294-96-2
Peso molecular (g/mol) 694.68
SMILES O.O.O.CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3.CCN4C=C(C(=O)O)C(=O)c5cc(F)c(nc45)N6CCNCC6
Nombre IUPAC 1-etil-6-fluoro-4-oxo-7-piperazina-1-il-1,8-naftiridina-3-carboxílico; trihidrato
4

1-Aminoftalazina, TRC

CAS: 19064-69-8 Fórmula molecular: C8 H7 N3 Peso molecular (g/mol): 145.16 Nombre IUPAC: Ftalazina-1-amina SMILES: Nc1nncc2ccccc12

Fórmula molecular C8 H7 N3
CAS 19064-69-8
Peso molecular (g/mol) 145.16
SMILES Nc1nncc2ccccc12
Nombre IUPAC Ftalazina-1-amina
5

Enoxacina, TRC

CAS: 74011-58-8 Fórmula molecular: C15 H17 F N4 O3 Peso molecular (g/mol): 320.32 Sinónimo: 1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)- (9CI, ACI),1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid (ACI),1-Ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid,1-Ethyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-1,8-naphthyridine-3-carboxylate,AT 2266,CI 919,Enofloxacin,Enofloxacine,Enoksetin,Enoxacine,ENOXOR,Flumark,MeSH ID: D015365,NSC 629661,PD 107779,Penetrex,Penetrex (pharmaceutical) Nombre IUPAC: 1-etil-6-fluoro-4-oxo-7-piperazina-1-il-1,8-naftiridina-3-carboxílico SMILES: CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3

Sinónimo 1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)- (9CI, ACI),1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid (ACI),1-Ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid,1-Ethyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-1,8-naphthyridine-3-carboxylate,AT 2266,CI 919,Enofloxacin,Enofloxacine,Enoksetin,Enoxacine,ENOXOR,Flumark,MeSH ID: D015365,NSC 629661,PD 107779,Penetrex,Penetrex (pharmaceutical)
Fórmula molecular C15 H17 F N4 O3
CAS 74011-58-8
Peso molecular (g/mol) 320.32
SMILES CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3
Nombre IUPAC 1-etil-6-fluoro-4-oxo-7-piperazina-1-il-1,8-naftiridina-3-carboxílico
6

Desbromo Brimonidina, TRC

CAS: 91147-43-2 Fórmula molecular: C11 H11 N5 Peso molecular (g/mol): 213.24 Sinónimo: N-(4,5-Dihydro-1H-imidazol-2-yl)-6-quinoxalinamine,UK 41511 Nombre IUPAC: N-quinoxalina-6-ilimazolidina-2-imina SMILES: C1CNC(=Nc2ccc3nccnc3c2)N1

Sinónimo N-(4,5-Dihydro-1H-imidazol-2-yl)-6-quinoxalinamine,UK 41511
Fórmula molecular C11 H11 N5
CAS 91147-43-2
Peso molecular (g/mol) 213.24
SMILES C1CNC(=Nc2ccc3nccnc3c2)N1
Nombre IUPAC N-quinoxalina-6-ilimazolidina-2-imina
7

7-Cloro-6-fluoro-1-(2,4-difluorofenilo)-1,4-dihidro-4-oxo-1,8-naftiridina-3-carboxílico Éster Etílico, TRC

CAS: 100491-29-0 Fórmula molecular: C17H10ClF3N2O3 Peso molecular (g/mol): 382.72 Sinónimo: 7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester,Ethyl 1-(2,4-Difluorophenyl)-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate Nombre IUPAC: Etil 7-cloro-1-(2,4-difluorofenil)-6-fluoro-4-oxo-1,8-naftiridina-3-carboxilato SMILES: CCOC(=O)C1=CN(c2ccc(F)cc2F)c3nc(Cl)c(F)cc3C1=O

Sinónimo 7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester,Ethyl 1-(2,4-Difluorophenyl)-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate
Fórmula molecular C17H10ClF3N2O3
CAS 100491-29-0
Peso molecular (g/mol) 382.72
SMILES CCOC(=O)C1=CN(c2ccc(F)cc2F)c3nc(Cl)c(F)cc3C1=O
Nombre IUPAC Etil 7-cloro-1-(2,4-difluorofenil)-6-fluoro-4-oxo-1,8-naftiridina-3-carboxilato
8

2,4-Dicloro-6,7-dimetoxiquinazolina, TRC

CAS: 27631-29-4 Fórmula molecular: C10 H8 Cl2 N2 O2 Peso molecular (g/mol): 259.09 Sinónimo: 2,4-Dichloro-6,7-dimethoxyquinazoline,Doxazosin Mesilate Imp. E (EP) Nombre IUPAC: 2,4-dicloro-6,7-dimetoxiquinazolina SMILES: COc1cc2nc(Cl)nc(Cl)c2cc1OC

Sinónimo 2,4-Dichloro-6,7-dimethoxyquinazoline,Doxazosin Mesilate Imp. E (EP)
Fórmula molecular C10 H8 Cl2 N2 O2
CAS 27631-29-4
Peso molecular (g/mol) 259.09
SMILES COc1cc2nc(Cl)nc(Cl)c2cc1OC
Nombre IUPAC 2,4-dicloro-6,7-dimetoxiquinazolina
9

Hidrazida ftálica, TRC

CAS: 1445-69-8 Fórmula molecular: C8 H6 N2 O2 Peso molecular (g/mol): 162.15 Sinónimo: 2,3-Dihydro-1,4-phthalazinedione,1,2-Benzenedicarboxylic acid, cyclic hydrazide,1,4-Dihydroxyphthalazine,1,4-Phthalazinediol,4-Hydroxyphthalazin-1(2H)-one,Hydrazine, 1,2-(1,2-phenylenedicarbonyl)-,N,N'-Phthaloylhydrazine,NSC 201511,NSC 651,Phthalazine-1,4(2H,3H)-dione,Phthalhydrazide,Phthalic acid cyclic hydrazide,Phthalocyclohydrazide Nombre IUPAC: 2,3-dihidroftalazina-1,4-diona SMILES: O=C1NNC(=O)c2ccccc12

Sinónimo 2,3-Dihydro-1,4-phthalazinedione,1,2-Benzenedicarboxylic acid, cyclic hydrazide,1,4-Dihydroxyphthalazine,1,4-Phthalazinediol,4-Hydroxyphthalazin-1(2H)-one,Hydrazine, 1,2-(1,2-phenylenedicarbonyl)-,N,N'-Phthaloylhydrazine,NSC 201511,NSC 651,Phthalazine-1,4(2H,3H)-dione,Phthalhydrazide,Phthalic acid cyclic hydrazide,Phthalocyclohydrazide
Fórmula molecular C8 H6 N2 O2
CAS 1445-69-8
Peso molecular (g/mol) 162.15
SMILES O=C1NNC(=O)c2ccccc12
Nombre IUPAC 2,3-dihidroftalazina-1,4-diona
11

Ácido Nalidexico, TRC

CAS: 389-08-2 Fórmula molecular: C12 H12 N2 O3 Peso molecular (g/mol): 232.24 Sinónimo: Nalidixic acid,1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid,1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,4-Dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid,1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid,1-Ethyl-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid,1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid,3-Carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one,Betaxina,Cybis,Dixiben,Eucistin,Innoxalomn,NSC 82174,Nacid,Nalidic acid,Nalidicron,Nalidixan,Nalidixic acid,Nalidixin,Nalidixinic acid,Nalitucsan,Nalix,Nalurin,Narigix,Naxuril,NegGram,Nelidix,Nevigramon,Nicelate,Nogram,Poleon,Specifin,Uralgin,Uriben,Uriclar,Urisal,Urodixin,Uroman,Uroneg,Uropan,Win 18320,Wintomylon Nombre IUPAC: Ácido 1-etil-7-metil-4-oxo-1,8-naftiridina-3-carboxílico SMILES: CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12

Sinónimo Nalidixic acid,1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid,1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,4-Dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid,1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid,1-Ethyl-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid,1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid,3-Carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one,Betaxina,Cybis,Dixiben,Eucistin,Innoxalomn,NSC 82174,Nacid,Nalidic acid,Nalidicron,Nalidixan,Nalidixic acid,Nalidixin,Nalidixinic acid,Nalitucsan,Nalix,Nalurin,Narigix,Naxuril,NegGram,Nelidix,Nevigramon,Nicelate,Nogram,Poleon,Specifin,Uralgin,Uriben,Uriclar,Urisal,Urodixin,Uroman,Uroneg,Uropan,Win 18320,Wintomylon
Fórmula molecular C12 H12 N2 O3
CAS 389-08-2
Peso molecular (g/mol) 232.24
SMILES CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12
Nombre IUPAC Ácido 1-etil-7-metil-4-oxo-1,8-naftiridina-3-carboxílico
13

Gefitinib, TRC

CAS: 184475-35-2 Fórmula molecular: C22 H24 Cl F N4 O3 Peso molecular (g/mol): 446.9 Nombre IUPAC: N-(3-cloro-4-fluorofenil)-7-metaxi-6-(3-morfolina 4-ilpropoxi)quinazolina-4-amina SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4

Fórmula molecular C22 H24 Cl F N4 O3
CAS 184475-35-2
Peso molecular (g/mol) 446.9
SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4
Nombre IUPAC N-(3-cloro-4-fluorofenil)-7-metaxi-6-(3-morfolina 4-ilpropoxi)quinazolina-4-amina
14

Vandetanib, TRC

CAS: 443913-73-3 Fórmula molecular: C22 H24 Br F N4 O2 Peso molecular (g/mol): 475.35 Sinónimo: 4-Quinazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-,N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-4-quinazolinamine,4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline,CH 331,Caprelsa,N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-(N-methylpiperidin-4-ylmethoxy)quinazolin-4-amine,N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine,Vandetanib,ZD 6474,Zactima Nombre IUPAC: N-(4-bromo-2-fluorofenil)-6-metoxi-7-[(1-metilpiperidin-4-il)metoxi]quinazolin-4-amina SMILES: COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4

Sinónimo 4-Quinazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-,N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-4-quinazolinamine,4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline,CH 331,Caprelsa,N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-(N-methylpiperidin-4-ylmethoxy)quinazolin-4-amine,N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine,Vandetanib,ZD 6474,Zactima
Fórmula molecular C22 H24 Br F N4 O2
CAS 443913-73-3
Peso molecular (g/mol) 475.35
SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4
Nombre IUPAC N-(4-bromo-2-fluorofenil)-6-metoxi-7-[(1-metilpiperidin-4-il)metoxi]quinazolin-4-amina
15

2-Fenilquinazolina-4(3h)-una, TRC

CAS: 1022-45-3 Fórmula molecular: C14H10N2O Peso molecular (g/mol): 222.24 Sinónimo: 2-Phenyl-4(3H)-quinazolinone Nombre IUPAC: 2-fenilquinazolina-4-ol SMILES: Oc1nc(nc2ccccc12)c3ccccc3

Sinónimo 2-Phenyl-4(3H)-quinazolinone
Fórmula molecular C14H10N2O
CAS 1022-45-3
Peso molecular (g/mol) 222.24
SMILES Oc1nc(nc2ccccc12)c3ccccc3
Nombre IUPAC 2-fenilquinazolina-4-ol