1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one

C134H87Cl3F7N19O9 — CID 158397668

About 1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one

1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one (PubChem CID 158397668) has the molecular formula C134H87Cl3F7N19O9 and a molecular weight of 2346.64 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one
• PubChem CID: 158397668
• Molecular Formula: C134H87Cl3F7N19O9
• Molecular Weight: 2346.64 g/mol
• Exact Mass: 2343.59
• IUPAC Name: 1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one
• SMILES: Cc1cc(-n2c(=O)ccc3cnc4[nH]ccc4c32)ccc1F.Cc1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(=O)[nH]c5)cc4c32)cc1C.Cc1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(=O)[nH]c5)cc4c32)cc1C(F)(F)F.Cc1cn(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(Cl)c5)c4c3c2)cn1.O=C1C=CC(c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(Cl)c5)c4c3c2)=CC1.O=c1ccc2cnc3ccc(-c4cnc[nH]4)cc3c2n1-c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C25H16F3N3O2.C25H19N3O2.C24H14ClFN2O2.C22H14ClFN4O.C21H12ClFN4O.C17H12FN3O/c1-14-2-6-18(11-20(14)25(26,27)28)31-23(33)9-5-17-13-29-21-7-3-15(10-19(21)24(17)31)16-4-8-22(32)30-12-16;1-15-3-7-20(11-16(15)2)28-24(30)10-6-19-14-26-22-8-4-17(12-21(22)25(19)28)18-5-9-23(29)27-13-18;25-20-12-17(5-8-21(20)26)28-23(30)10-4-16-13-27-22-9-3-15(11-19(22)24(16)28)14-1-6-18(29)7-2-14;1-13-11-27(12-26-13)15-4-6-20-17(8-15)22-14(10-25-20)2-7-21(29)28(22)16-3-5-19(24)18(23)9-16;22-16-8-14(3-4-17(16)23)27-20(28)6-2-13-9-25-18-5-1-12(7-15(18)21(13)27)19-10-24-11-26-19;1-10-8-12(3-4-14(10)18)21-15(22)5-2-11-9-20-17-13(16(11)21)6-7-19-17/h2-13H,1H3,(H,30,32);3-14H,1-2H3,(H,27,29);1-6,8-13H,7H2;2-12H,1H3;1-11H,(H,24,26);2-9H,1H3,(H,19,20)
• InChIKey: GXSDHHJKHPIJLC-UHFFFAOYSA-N
• XLogP: 27.84
• TPSA: 354.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2346.64
LogP ≤ 5	27.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one?

The IUPAC name of 1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one (CID 158397668) is 1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one is Cc1cc(-n2c(=O)ccc3cnc4[nH]ccc4c32)ccc1F.Cc1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(=O)[nH]c5)cc4c32)cc1C.Cc1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(=O)[nH]c5)cc4c32)cc1C(F)(F)F.Cc1cn(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(Cl)c5)c4c3c2)cn1.O=C1C=CC(c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(Cl)c5)c4c3c2)=CC1.O=c1ccc2cnc3ccc(-c4cnc[nH]4)cc3c2n1-c1ccc(F)c(Cl)c1.

What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one?

The InChIKey is GXSDHHJKHPIJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N3O2.C25H19N3O2.C24H14ClFN2O2.C22H14ClFN4O.C21H12ClFN4O.C17H12FN3O/c1-14-2-6-18(11-20(14)25(26,27)28)31-23(33)9-5-17-13-29-21-7-3-15(10-19(21)24(17)31)16-4-8-22(32)30-12-16;1-15-3-7-20(11-16(15)2)28-24(30)10-6-19-14-26-22-8-4-17(12-21(22)25(19)28)18-5-9-23(29)27-13-18;25-20-12-17(5-8-21(20)26)28-23(30)10-4-16-13-27-22-9-3-15(11-19(22)24(16)28)14-1-6-18(29)7-2-14;1-13-11-27(12-26-13)15-4-6-20-17(8-15)22-14(10-25-20)2-7-21(29)28(22)16-3-5-19(24)18(23)9-16;22-16-8-14(3-4-17(16)23)27-20(28)6-2-13-9-25-18-5-1-12(7-15(18)21(13)27)19-10-24-11-26-19;1-10-8-12(3-4-14(10)18)21-15(22)5-2-11-9-20-17-13(16(11)21)6-7-19-17/h2-13H,1H3,(H,30,32);3-14H,1-2H3,(H,27,29);1-6,8-13H,7H2;2-12H,1H3;1-11H,(H,24,26);2-9H,1H3,(H,19,20).

What are the key properties of 1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one?

1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one has a molecular weight of 2346.64 g/mol, XLogP of 27.84, 11 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-4-fluorophenyl)-9-(1H-imidazol-5-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(4-oxocyclohexa-1,5-dien-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one;1-[4-methyl-3-(trifluoromethyl)phenyl]-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 158397668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).