6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one

C135H88ClN21O6 — CID 159274651

IUPAC6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCn1ccc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc21.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4cnccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4nc[nH]c4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3cnc4ncccc4c3)cc12.O=c1ccc2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3ccc4nccnc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C24H17N3O.C23H14ClN3O.C23H15N3O.2C22H14N4O.C21H14N4O/c1-27-13-11-22(28)20-15-19(17-9-10-21-18(14-17)8-5-12-25-21)23(26-24(20)27)16-6-3-2-4-7-16;24-19-13-17(11-15-7-4-10-25-22(15)19)18-12-16-8-9-20(28)26-23(16)27-21(18)14-5-2-1-3-6-14;27-21-9-11-25-23-20(21)13-19(22(26-23)15-4-2-1-3-5-15)17-6-7-18-14-24-10-8-16(18)12-17;27-19-8-10-24-22-18(19)12-17(20(26-22)14-5-2-1-3-6-14)16-11-15-7-4-9-23-21(15)25-13-16;27-20-9-7-16-12-17(15-6-8-18-19(13-15)24-11-10-23-18)21(26-22(16)25-20)14-4-2-1-3-5-14;26-19-8-9-22-21-16(19)11-15(20(25-21)13-4-2-1-3-5-13)14-6-7-17-18(10-14)24-12-23-17/h2-15H,1H3;1-13H,(H,26,27,28);1-14H,(H,25,26,27);1-13H,(H,24,26,27);1-13H,(H,25,26,27);1-12H,(H,23,24)(H,22,25,26)
InChIKeyKYDMQQQXBNIPHE-UHFFFAOYSA-N
MW2135.78 g/mol
LogP27.61
Rot. Bonds12

About 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one

6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one (PubChem CID 159274651) has the molecular formula C135H88ClN21O6 and a molecular weight of 2135.78 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one
PubChem CID159274651
Molecular FormulaC135H88ClN21O6
Molecular Weight2135.78 g/mol
Exact Mass2133.69
IUPAC Name6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCn1ccc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc21.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4cnccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4nc[nH]c4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3cnc4ncccc4c3)cc12.O=c1ccc2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3ccc4nccnc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C24H17N3O.C23H14ClN3O.C23H15N3O.2C22H14N4O.C21H14N4O/c1-27-13-11-22(28)20-15-19(17-9-10-21-18(14-17)8-5-12-25-21)23(26-24(20)27)16-6-3-2-4-7-16;24-19-13-17(11-15-7-4-10-25-22(15)19)18-12-16-8-9-20(28)26-23(16)27-21(18)14-5-2-1-3-6-14;27-21-9-11-25-23-20(21)13-19(22(26-23)15-4-2-1-3-5-15)17-6-7-18-14-24-10-8-16(18)12-17;27-19-8-10-24-22-18(19)12-17(20(26-22)14-5-2-1-3-6-14)16-11-15-7-4-9-23-21(15)25-13-16;27-20-9-7-16-12-17(15-6-8-18-19(13-15)24-11-10-23-18)21(26-22(16)25-20)14-4-2-1-3-5-14;26-19-8-9-22-21-16(19)11-15(20(25-21)13-4-2-1-3-5-13)14-6-7-17-18(10-14)24-12-23-17/h2-15H,1H3;1-13H,(H,26,27,28);1-14H,(H,25,26,27);1-13H,(H,24,26,27);1-13H,(H,25,26,27);1-12H,(H,23,24)(H,22,25,26)
InChIKeyKYDMQQQXBNIPHE-UHFFFAOYSA-N
XLogP27.61
TPSA382.55 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002135.78
LogP ≤ 527.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one with MolForge

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Related Compounds

3-[4-[(3S)-3-aminopiperidin-1-yl]-3-[(3-chlorophenyl)methylamino]quinolin-6-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 135145460
6-(2-Amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide
CID 134362633
1-(8-chloroquinolin-4-yl)-2-methyl-6-(7H-purin-6-yl)benzimidazole-4-carboxamide
CID 134372858
6-(6-Aminopyrimidin-4-yl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide
CID 134373029
1-(8-Chloroquinolin-4-yl)-6-(2,6-diaminopyrimidin-4-yl)-2-methylbenzimidazole-4-carboxamide
CID 134373030
N-[2-(8-chloroquinolin-3-yl)-3H-benzimidazol-5-yl]-4-[(2-phenylquinazolin-4-yl)amino]benzamide
CID 162662355
3-[4-[(3S)-3-aminopiperidin-1-yl]-3-[(3-chlorophenyl)methylamino]quinolin-6-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135145461
5-[2-(8-amino-1,7-naphthyridin-5-yl)ethynyl]-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;3-[2-(2-amino-7H-purin-6-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(7-aminopyrido[3,4-b]pyrazin-8-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 158805320
3-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;6-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide;3-[2-(5-amino-1,6-naphthyridin-8-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(2-amino-7H-purin-6-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 160240781
4-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide;3-[2-(2-amino-9-methylpurin-6-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 161191426
3-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-4-methyl-N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide;5-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 161561418
1-[3-[[2-(3-aminophenyl)-5H-cyclopenta[d]pyrimidin-4-yl]amino]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[3-[[2-(4-chlorophenyl)-5H-cyclopenta[d]pyrimidin-4-yl]amino]-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(2-phenyl-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 161733334

Frequently Asked Questions

What is the IUPAC name of 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one (CID 159274651) is 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one is Cn1ccc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc21.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4cnccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4nc[nH]c4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3cnc4ncccc4c3)cc12.O=c1ccc2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.O=c1ccc2cc(-c3ccc4nccnc4c3)c(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is KYDMQQQXBNIPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O.C23H14ClN3O.C23H15N3O.2C22H14N4O.C21H14N4O/c1-27-13-11-22(28)20-15-19(17-9-10-21-18(14-17)8-5-12-25-21)23(26-24(20)27)16-6-3-2-4-7-16;24-19-13-17(11-15-7-4-10-25-22(15)19)18-12-16-8-9-20(28)26-23(16)27-21(18)14-5-2-1-3-6-14;27-21-9-11-25-23-20(21)13-19(22(26-23)15-4-2-1-3-5-15)17-6-7-18-14-24-10-8-16(18)12-17;27-19-8-10-24-22-18(19)12-17(20(26-22)14-5-2-1-3-6-14)16-11-15-7-4-9-23-21(15)25-13-16;27-20-9-7-16-12-17(15-6-8-18-19(13-15)24-11-10-23-18)21(26-22(16)25-20)14-4-2-1-3-5-14;26-19-8-9-22-21-16(19)11-15(20(25-21)13-4-2-1-3-5-13)14-6-7-17-18(10-14)24-12-23-17/h2-15H,1H3;1-13H,(H,26,27,28);1-14H,(H,25,26,27);1-13H,(H,24,26,27);1-13H,(H,25,26,27);1-12H,(H,23,24)(H,22,25,26).
What are the key properties of 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one?
6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 2135.78 g/mol, XLogP of 27.61, 12 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-isoquinolin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 159274651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).