6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C130H86N20O9S — CID 158850034

IUPAC6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc2cccnc12.Cc1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2ccc3ncccc3c2)o1.Cc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)o1.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4ncsc4c3)cc12.O=c1cc[nH]c2nc(-c3cccnc3)c(-c3ccc4ncccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccco3)c(-c3ccc4nc[nH]c4c3)cc12
InChIInChI=1S/C24H17N3O.C22H14N4O.2C22H15N3O2.C21H13N3OS.C19H12N4O2/c1-15-12-18(13-17-8-5-10-25-22(15)17)19-14-20-21(28)9-11-26-24(20)27-23(19)16-6-3-2-4-7-16;27-20-7-10-25-22-18(20)12-17(21(26-22)16-4-1-8-23-13-16)14-5-6-19-15(11-14)3-2-9-24-19;1-13-4-8-19(27-13)21-17(12-16-6-9-20(26)24-22(16)25-21)14-5-7-18-15(11-14)3-2-10-23-18;1-13-4-7-20(27-13)21-16(12-17-19(26)8-10-24-22(17)25-21)14-5-6-18-15(11-14)3-2-9-23-18;25-18-8-9-22-21-16(18)11-15(20(24-21)13-4-2-1-3-5-13)14-6-7-17-19(10-14)26-12-23-17;24-16-5-6-20-19-13(16)9-12(18(23-19)17-2-1-7-25-17)11-3-4-14-15(8-11)22-10-21-14/h2-14H,1H3,(H,26,27,28);1-13H,(H,25,26,27);2*2-12H,1H3,(H,24,25,26);1-12H,(H,22,24,25);1-10H,(H,21,22)(H,20,23,24)
InChIKeyIZIGKJUAJWYAPS-UHFFFAOYSA-N
MW2104.32 g/mol
LogP27.32
Rot. Bonds12

About 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 158850034) has the molecular formula C130H86N20O9S and a molecular weight of 2104.32 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID158850034
Molecular FormulaC130H86N20O9S
Molecular Weight2104.32 g/mol
Exact Mass2102.66
IUPAC Name6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc2cccnc12.Cc1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2ccc3ncccc3c2)o1.Cc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)o1.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4ncsc4c3)cc12.O=c1cc[nH]c2nc(-c3cccnc3)c(-c3ccc4ncccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccco3)c(-c3ccc4nc[nH]c4c3)cc12
InChIInChI=1S/C24H17N3O.C22H14N4O.2C22H15N3O2.C21H13N3OS.C19H12N4O2/c1-15-12-18(13-17-8-5-10-25-22(15)17)19-14-20-21(28)9-11-26-24(20)27-23(19)16-6-3-2-4-7-16;27-20-7-10-25-22-18(20)12-17(21(26-22)16-4-1-8-23-13-16)14-5-6-19-15(11-14)3-2-9-24-19;1-13-4-8-19(27-13)21-17(12-16-6-9-20(26)24-22(16)25-21)14-5-7-18-15(11-14)3-2-10-23-18;1-13-4-7-20(27-13)21-16(12-17-19(26)8-10-24-22(17)25-21)14-5-6-18-15(11-14)3-2-9-23-18;25-18-8-9-22-21-16(18)11-15(20(24-21)13-4-2-1-3-5-13)14-6-7-17-19(10-14)26-12-23-17;24-16-5-6-20-19-13(16)9-12(18(23-19)17-2-1-7-25-17)11-3-4-14-15(8-11)22-10-21-14/h2-14H,1H3,(H,26,27,28);1-13H,(H,25,26,27);2*2-12H,1H3,(H,24,25,26);1-12H,(H,22,24,25);1-10H,(H,21,22)(H,20,23,24)
InChIKeyIZIGKJUAJWYAPS-UHFFFAOYSA-N
XLogP27.32
TPSA419.94 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002104.32
LogP ≤ 527.32
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one with MolForge

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Launch Full Analysis

Related Compounds

N-(1H-benzimidazol-2-yl)-6-(1,3-benzothiazol-5-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 60194751
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158744610
1-[(3-aminophenyl)methyl]-3-(2,6-dioxo-3,7-dihydropurin-1-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-benzyl-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-(furan-2-ylmethyl)-5-(trifluoromethyl)indole-2-carboxylic acid
CID 159344224
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159780650
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 161999348
N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 89120208
2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-[6-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-5-quinolin-5-yl-2-pyridinyl]-1-methoxypropan-2-yl]pyridine-3-carboxamide
CID 91391128
3-[1-[1-[2-[2-[2-[4-(3-hydroxy-2-pyridinyl)-1H-imidazol-5-yl]thiophen-3-yl]furan-3-yl]-3-pyridinyl]piperazin-2-yl]piperidin-2-yl]-4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]isoquinolin-1-yl]-1H-quinolin-2-one
CID 135984016
2-[5-(1,3-benzothiazol-2-yl)-7-(1H-indol-2-yl)-2-isoquinolin-1-yl-3-quinazolin-2-yl-8-quinolin-2-ylquinoxalin-6-yl]-1,3-benzoxazole
CID 140983497
2-[9-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-8-isoquinolin-1-yl-4-(7H-purin-2-yl)phenazin-2-yl]-1,3-benzoxazole
CID 140988242
2-[7-(1H-benzimidazol-2-yl)-6-(1,3-benzothiazol-2-yl)-2-isoquinolin-1-yl-4-quinolin-2-ylquinazolin-5-yl]-1,3-benzoxazole
CID 141050935

Frequently Asked Questions

What is the IUPAC name of 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 158850034) is 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc2cccnc12.Cc1ccc(-c2nc3[nH]c(=O)ccc3cc2-c2ccc3ncccc3c2)o1.Cc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncccc3c2)o1.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4ncsc4c3)cc12.O=c1cc[nH]c2nc(-c3cccnc3)c(-c3ccc4ncccc4c3)cc12.O=c1cc[nH]c2nc(-c3ccco3)c(-c3ccc4nc[nH]c4c3)cc12.
What is the InChIKey of 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is IZIGKJUAJWYAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O.C22H14N4O.2C22H15N3O2.C21H13N3OS.C19H12N4O2/c1-15-12-18(13-17-8-5-10-25-22(15)17)19-14-20-21(28)9-11-26-24(20)27-23(19)16-6-3-2-4-7-16;27-20-7-10-25-22-18(20)12-17(21(26-22)16-4-1-8-23-13-16)14-5-6-19-15(11-14)3-2-9-24-19;1-13-4-8-19(27-13)21-17(12-16-6-9-20(26)24-22(16)25-21)14-5-7-18-15(11-14)3-2-10-23-18;1-13-4-7-20(27-13)21-16(12-17-19(26)8-10-24-22(17)25-21)14-5-6-18-15(11-14)3-2-9-23-18;25-18-8-9-22-21-16(18)11-15(20(24-21)13-4-2-1-3-5-13)14-6-7-17-19(10-14)26-12-23-17;24-16-5-6-20-19-13(16)9-12(18(23-19)17-2-1-7-25-17)11-3-4-14-15(8-11)22-10-21-14/h2-14H,1H3,(H,26,27,28);1-13H,(H,25,26,27);2*2-12H,1H3,(H,24,25,26);1-12H,(H,22,24,25);1-10H,(H,21,22)(H,20,23,24).
What are the key properties of 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 2104.32 g/mol, XLogP of 27.32, 12 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 158850034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).