9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one

C87H55Cl2F6N13O5 — CID 160950866

About 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-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-(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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one (PubChem CID 160950866) has the molecular formula C87H55Cl2F6N13O5 and a molecular weight of 1547.38 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-(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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-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-(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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
• PubChem CID: 160950866
• Molecular Formula: C87H55Cl2F6N13O5
• Molecular Weight: 1547.38 g/mol
• Exact Mass: 1545.37
• IUPAC Name: 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one
• SMILES: Cc1cc(-n2c(=O)ccc3cnc4[nH]ccc4c32)ccc1F.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
• InChI: InChI=1S/C24H14ClFN2O2.C24H15F3N4O.C22H14ClFN4O.C17H12FN3O/c25-20-12-17(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;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/h1-6,8-13H,7H2;1-13H,(H2,28,30);2-12H,1H3;2-9H,1H3,(H,19,20)
• InChIKey: SVSWNFBLLPXGJR-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 229.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1547.38
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

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-(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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-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-(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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one (CID 160950866) is 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-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-(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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-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-(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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one is Cc1cc(-n2c(=O)ccc3cnc4[nH]ccc4c32)ccc1F.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.

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-(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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one?

The InChIKey is SVSWNFBLLPXGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClFN2O2.C24H15F3N4O.C22H14ClFN4O.C17H12FN3O/c25-20-12-17(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;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/h1-6,8-13H,7H2;1-13H,(H2,28,30);2-12H,1H3;2-9H,1H3,(H,19,20).

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-(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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-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-(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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one has a molecular weight of 1547.38 g/mol, XLogP of 18.59, 7 rotatable bonds, 2 hydrogen bond donors, and 17 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-(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-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one is sourced from PubChem (CID 160950866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).