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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

rac-Pagoclone, TRC

CAS: 133737-48-1 Fórmula molecular: C23H22ClN3O2 Peso molecular (g/mol): 407.89 Sinónimo: 2-(7-Chloro-1,8-naphthyridin-2-yl)-2,3-dihydro-3-(5-methyl-2-oxohexyl)-1H-isoindol-1-one,RP 59037,IP 456,RP 62955 SMILES: CC(C)CCC(=O)CC1C2=CC=CC=C2C(=O)N1C3=NC4=C(C=CC(=N4)Cl)C=C3

Sinónimo 2-(7-Chloro-1,8-naphthyridin-2-yl)-2,3-dihydro-3-(5-methyl-2-oxohexyl)-1H-isoindol-1-one,RP 59037,IP 456,RP 62955
Fórmula molecular C23H22ClN3O2
CAS 133737-48-1
Peso molecular (g/mol) 407.89
SMILES CC(C)CCC(=O)CC1C2=CC=CC=C2C(=O)N1C3=NC4=C(C=CC(=N4)Cl)C=C3
4

Poziotinib, TRC

CAS: 1092364-38-9 Fórmula molecular: C23H21Cl2FN4O3 Peso molecular (g/mol): 491.34 Sinónimo: 1-[4-[[4-[(3,4-Dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one,1-[4-[4-(3,4-Dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one Nombre IUPAC: 1-[4-[4-(3,4-dicloro-2-fluoroanilino)-7-metoxiquinazolina-6-il]oxipiperidina-1-il]prop-2-en-1-one SMILES: COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC4CCN(CC4)C(=O)C=C

Sinónimo 1-[4-[[4-[(3,4-Dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one,1-[4-[4-(3,4-Dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
Fórmula molecular C23H21Cl2FN4O3
CAS 1092364-38-9
Peso molecular (g/mol) 491.34
SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC4CCN(CC4)C(=O)C=C
Nombre IUPAC 1-[4-[4-(3,4-dicloro-2-fluoroanilino)-7-metoxiquinazolina-6-il]oxipiperidina-1-il]prop-2-en-1-one
5

Endofenazina A, TRC

CAS: 86125-71-5 Fórmula molecular: C18H16N2O2 Peso molecular (g/mol): 292.33 Sinónimo: 9-(3-Methyl-2-buten-1-yl)-1-phenazinecarboxylic Acid,9-(3-Methyl-2-butenyl)-1-phenazinecarboxylic Acid Nombre IUPAC: Ácido 9-(3-metilbut-2-enil)fenazina-1-carboxílico SMILES: CC(=CCc1cccc2nc3cccc(C(=O)O)c3nc12)C

Sinónimo 9-(3-Methyl-2-buten-1-yl)-1-phenazinecarboxylic Acid,9-(3-Methyl-2-butenyl)-1-phenazinecarboxylic Acid
Fórmula molecular C18H16N2O2
CAS 86125-71-5
Peso molecular (g/mol) 292.33
SMILES CC(=CCc1cccc2nc3cccc(C(=O)O)c3nc12)C
Nombre IUPAC Ácido 9-(3-metilbut-2-enil)fenazina-1-carboxílico
6

6-Ciano-7-nitroquinoxalina-2,3-diona, TRC

CAS: 115066-14-3 Fórmula molecular: C9 H4 N4 O4 Peso molecular (g/mol): 232.15 Nombre IUPAC: 7-nitro-2,3-dioxo-1,4-dihidroquinoxalina-6-carbonitrilo SMILES: [O-][N+](=O)c1cc2NC(=O)C(=O)Nc2cc1C#N

Fórmula molecular C9 H4 N4 O4
CAS 115066-14-3
Peso molecular (g/mol) 232.15
SMILES [O-][N+](=O)c1cc2NC(=O)C(=O)Nc2cc1C#N
Nombre IUPAC 7-nitro-2,3-dioxo-1,4-dihidroquinoxalina-6-carbonitrilo
7

N2-metil alfuzosina, TRC

CAS: 72104-34-8 Fórmula molecular: C19 H27 N5 O4 . Cl H Peso molecular (g/mol): 425.91 Sinónimo: Alfuzosin Hydrochloride Imp. C (EP) as Hydrochloride,(2RS)-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methyltetrahydrofuran-2-carboxamide Hydrochloride Nombre IUPAC: N-[3-[(4-amino-6,7-dimetoxiquinazolina-2-il)amino]propil]-N-metiloxolano-2-carboxamida; Cloruro SMILES: Cl.COc1cc2nc(NCCCN(C)C(=O)C3CCCO3)nc(N)c2cc1OC

Sinónimo Alfuzosin Hydrochloride Imp. C (EP) as Hydrochloride,(2RS)-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methyltetrahydrofuran-2-carboxamide Hydrochloride
Fórmula molecular C19 H27 N5 O4 . Cl H
CAS 72104-34-8
Peso molecular (g/mol) 425.91
SMILES Cl.COc1cc2nc(NCCCN(C)C(=O)C3CCCO3)nc(N)c2cc1OC
Nombre IUPAC N-[3-[(4-amino-6,7-dimetoxiquinazolina-2-il)amino]propil]-N-metiloxolano-2-carboxamida; Cloruro
8

Fenquizone, TRC

CAS: 20287-37-0 Fórmula molecular: C14 H12 Cl N3 O3 S Peso molecular (g/mol): 337.78 Sinónimo: 7-Chloro-1,2,3,4-tetrahydro-4-oxo-2-phenyl-6-quinazolinesulfonamide; Nombre IUPAC: 1-(3-Bromo-4-fluorofenil)propano-1-una SMILES: NS(=O)(=O)c1cc2C(=O)NC(Nc2cc1Cl)c3ccccc3

Sinónimo 7-Chloro-1,2,3,4-tetrahydro-4-oxo-2-phenyl-6-quinazolinesulfonamide;
Fórmula molecular C14 H12 Cl N3 O3 S
CAS 20287-37-0
Peso molecular (g/mol) 337.78
SMILES NS(=O)(=O)c1cc2C(=O)NC(Nc2cc1Cl)c3ccccc3
Nombre IUPAC 1-(3-Bromo-4-fluorofenil)propano-1-una
9

Metolazona, TRC

CAS: 17560-51-9 Fórmula molecular: C16 H16 Cl N3 O3 S Peso molecular (g/mol): 365.83 Sinónimo: Metolazone,(2RS)-7-Chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide,6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-2-methyl-3-(2-methylphenyl)-4-oxo- (9CI, ACI),6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-2-methyl-4-oxo-3-o-tolyl- (8CI),7-Chloro-1,2,3,4-tetrahydro-2-methyl-3-(2-methylphenyl)-4-oxo-6-quinazolinesulfonamide (ACI),2-Methyl-3-(o-tolyl)-6-sulfamyl-7-chloro-1,2,3,4-tetrahydro-4-quinazolinone,7-Chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide,Diulo,MeSH ID: D008788,Metazoline,Metenix,Metozalone,Mykrox,Normelan,Oldren,SR 720-22,Xuret,Zaroxolyn Nombre IUPAC: 7-cloro-2-metil-3-(2-metilfenil)-4-oxo-1,2-dihidroquinazolina-6-sulfonamida SMILES: CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N

Sinónimo Metolazone,(2RS)-7-Chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide,6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-2-methyl-3-(2-methylphenyl)-4-oxo- (9CI, ACI),6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-2-methyl-4-oxo-3-o-tolyl- (8CI),7-Chloro-1,2,3,4-tetrahydro-2-methyl-3-(2-methylphenyl)-4-oxo-6-quinazolinesulfonamide (ACI),2-Methyl-3-(o-tolyl)-6-sulfamyl-7-chloro-1,2,3,4-tetrahydro-4-quinazolinone,7-Chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide,Diulo,MeSH ID: D008788,Metazoline,Metenix,Metozalone,Mykrox,Normelan,Oldren,SR 720-22,Xuret,Zaroxolyn
Fórmula molecular C16 H16 Cl N3 O3 S
CAS 17560-51-9
Peso molecular (g/mol) 365.83
SMILES CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N
Nombre IUPAC 7-cloro-2-metil-3-(2-metilfenil)-4-oxo-1,2-dihidroquinazolina-6-sulfonamida
10

Cloruro de alfuzosina, TRC

CAS: 81403-68-1 Fórmula molecular: C19 H27 N5 O4 . Cl H Peso molecular (g/mol): 425.91 Sinónimo: Alfuzosin hydrochloride,(2RS)-N-[3-[(4-Amino-6,7-dimethoxyquinazolin-2-yl)methylamino]propyl]tetrahydrofuran-2-carboxamide hydrochloride,SL 77-499-10,SL 77499-10,Urion,Uroxatral,Xatral,Alfoten Nombre IUPAC: N-[3-[(4-amino-6,7-dimetoxiquinazolina-2-il)-metilamino]propil]oxolano-2-carboxamida; Cloruro SMILES: Cl.COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3

Sinónimo Alfuzosin hydrochloride,(2RS)-N-[3-[(4-Amino-6,7-dimethoxyquinazolin-2-yl)methylamino]propyl]tetrahydrofuran-2-carboxamide hydrochloride,SL 77-499-10,SL 77499-10,Urion,Uroxatral,Xatral,Alfoten
Fórmula molecular C19 H27 N5 O4 . Cl H
CAS 81403-68-1
Peso molecular (g/mol) 425.91
SMILES Cl.COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3
Nombre IUPAC N-[3-[(4-amino-6,7-dimetoxiquinazolina-2-il)-metilamino]propil]oxolano-2-carboxamida; Cloruro
11

N-De[2-(metilsulfonil)etilo] Lapatinib, TRC

CAS: 697299-82-4 Fórmula molecular: C26H20ClFN4O2 Peso molecular (g/mol): 474.91 Sinónimo: 6-[5-(Aminomethyl)-2-furanyl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-quinazolinamine,[6-(5-Aminomethylfuran-2-yl)quinazolin-4-yl][3-chloro- 4-(3-fluorobenzyloxy)phenyl]amine SMILES: Cc1nc2c3c(ccc2nc1)n(C)c(N)n3

Sinónimo 6-[5-(Aminomethyl)-2-furanyl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-quinazolinamine,[6-(5-Aminomethylfuran-2-yl)quinazolin-4-yl][3-chloro- 4-(3-fluorobenzyloxy)phenyl]amine
Fórmula molecular C26H20ClFN4O2
CAS 697299-82-4
Peso molecular (g/mol) 474.91
SMILES Cc1nc2c3c(ccc2nc1)n(C)c(N)n3
12

Dacomitinib, TRC

CAS: 1110813-31-4 Fórmula molecular: C24 H25 Cl F N5 O2 Peso molecular (g/mol): 469.94 Nombre IUPAC: (E)-N-[4-(3-cloro-4-fluoroanilino)-7-metoxiquinazolina-6-il]-4-piperidina-1-ilbut-2-enamida SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN4CCCCC4

Fórmula molecular C24 H25 Cl F N5 O2
CAS 1110813-31-4
Peso molecular (g/mol) 469.94
SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN4CCCCC4
Nombre IUPAC (E)-N-[4-(3-cloro-4-fluoroanilino)-7-metoxiquinazolina-6-il]-4-piperidina-1-ilbut-2-enamida
13

CGS-12066A Sal Maleata, TRC

CAS: 1350965-83-1 Fórmula molecular: C17H17F3N4 . C4H4O4 Peso molecular (g/mol): 450.4 Sinónimo: CGS-12066A Maleate Salt,4-(4-Methyl-1-piperazinyl)-7-(trifluoromethyl)-pyrrolo[1,2-a]quinoxaline (2Z)-2-Butenedioate Nombre IUPAC: (Z)-pero-2-ácido enedioico; 4-(4-metilpiperazina-1-il)-7-(trifluorometil)pirroli[1,2-a]quinoxalina SMILES: CN1CCN(CC1)c2nc3cc(ccc3n4cccc24)C(F)(F)F.OC(=O)\C=C/C(=O)O

Sinónimo CGS-12066A Maleate Salt,4-(4-Methyl-1-piperazinyl)-7-(trifluoromethyl)-pyrrolo[1,2-a]quinoxaline (2Z)-2-Butenedioate
Fórmula molecular C17H17F3N4 . C4H4O4
CAS 1350965-83-1
Peso molecular (g/mol) 450.4
SMILES CN1CCN(CC1)c2nc3cc(ccc3n4cccc24)C(F)(F)F.OC(=O)\C=C/C(=O)O
Nombre IUPAC (Z)-pero-2-ácido enedioico; 4-(4-metilpiperazina-1-il)-7-(trifluorometil)pirroli[1,2-a]quinoxalina
14

6,7-Dimetoxi-2,4-quinazolinediamina, TRC

CAS: 60547-96-8 Fórmula molecular: C10 H12 N4 O2 Peso molecular (g/mol): 220.23 Sinónimo: 2,4-Diamino-6,7-dimethoxyquinazoline Nombre IUPAC: 6,7-dimetoxiquinazolina-2,4-diamina SMILES: COc1cc2nc(N)nc(N)c2cc1OC

Sinónimo 2,4-Diamino-6,7-dimethoxyquinazoline
Fórmula molecular C10 H12 N4 O2
CAS 60547-96-8
Peso molecular (g/mol) 220.23
SMILES COc1cc2nc(N)nc(N)c2cc1OC
Nombre IUPAC 6,7-dimetoxiquinazolina-2,4-diamina
15

Fenquinotriona, TRC

CAS: 1342891-70-6 Fórmula molecular: C22 H17 Cl N2 O5 Peso molecular (g/mol): 424.8338 Sinónimo: 1,3-Cyclohexanedione, 2-[[8-chloro-3,4-dihydro-4-(4-methoxyphenyl)-3-oxo-2-quinoxalinyl]carbonyl]-,Fenquinotrione Nombre IUPAC: 2-[8-cloro-4-(4-metoxifenil)-3-oxalina-2-carbonil]ciclohexano-1,3-dión SMILES: COc1ccc(cc1)N2C(=O)C(=Nc3c(Cl)cccc23)C(=O)C4C(=O)CCCC4=O

Sinónimo 1,3-Cyclohexanedione, 2-[[8-chloro-3,4-dihydro-4-(4-methoxyphenyl)-3-oxo-2-quinoxalinyl]carbonyl]-,Fenquinotrione
Fórmula molecular C22 H17 Cl N2 O5
CAS 1342891-70-6
Peso molecular (g/mol) 424.8338
SMILES COc1ccc(cc1)N2C(=O)C(=Nc3c(Cl)cccc23)C(=O)C4C(=O)CCCC4=O
Nombre IUPAC 2-[8-cloro-4-(4-metoxifenil)-3-oxalina-2-carbonil]ciclohexano-1,3-dión