9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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

C116H74Cl3F6N17O7 — CID 160638657

About 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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

9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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 (PubChem CID 160638657) has the molecular formula C116H74Cl3F6N17O7 and a molecular weight of 2038.33 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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.

Molecular Properties

• Compound Name: 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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
• PubChem CID: 160638657
• Molecular Formula: C116H74Cl3F6N17O7
• Molecular Weight: 2038.33 g/mol
• Exact Mass: 2035.49
• IUPAC Name: 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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
• SMILES: Cc1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(=O)[nH]c5)cc4c32)cc1C.Cc1cn(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(Cl)c5)c4c3c2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)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/C25H19N3O2.C24H14ClFN2O2.C24H15F3N4O.C22H14ClFN4O.C21H12ClFN4O/c1-15-3-7-20(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;25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15;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/h3-14H,1-2H3,(H,27,29);1-6,8-13H,7H2;1-13H,(H2,28,30);2-12H,1H3;1-11H,(H,24,26)
• InChIKey: RIWKPQKIXZYQIQ-UHFFFAOYSA-N
• XLogP: 24.50
• TPSA: 309.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2038.33
LogP ≤ 5	24.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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?

The IUPAC name of 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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 (CID 160638657) is 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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.

What is the SMILES notation for 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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?

The canonical SMILES for 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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 is Cc1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(=O)[nH]c5)cc4c32)cc1C.Cc1cn(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(Cl)c5)c4c3c2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)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 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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?

The InChIKey is RIWKPQKIXZYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2.C24H14ClFN2O2.C24H15F3N4O.C22H14ClFN4O.C21H12ClFN4O/c1-15-3-7-20(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;25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15;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/h3-14H,1-2H3,(H,27,29);1-6,8-13H,7H2;1-13H,(H2,28,30);2-12H,1H3;1-11H,(H,24,26).

What are the key properties of 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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?

9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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 has a molecular weight of 2038.33 g/mol, XLogP of 24.50, 10 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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 is sourced from PubChem (CID 160638657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).