1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one

C117H80Cl2F7N19O5 — CID 159881819

About 1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one

1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one (PubChem CID 159881819) has the molecular formula C117H80Cl2F7N19O5 and a molecular weight of 2035.95 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one
• PubChem CID: 159881819
• Molecular Formula: C117H80Cl2F7N19O5
• Molecular Weight: 2035.95 g/mol
• Exact Mass: 2033.59
• IUPAC Name: 1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one
• SMILES: Cc1cc(-n2c(=O)ccc3cnc4ccc(-n5cncc5C)cc4c32)ccc1F.Cc1ccc(-n2c(=O)ccc3cnc4ccc(-n5cncc5C)cc4c32)cc1C.Cc1cncn1-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(C(F)(F)F)c4)c3c2c1.O=c1ccc2cnc3ccc(Cc4ccccn4)cc3c2n1-c1ccc(F)c(Cl)c1.O=c1ccc2cnc3ccc(Cc4ncccn4)cc3c2n1-c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C24H15ClFN3O.C24H20N4O.C23H14ClFN4O.C23H14F4N4O.C23H17FN4O/c25-20-13-18(6-7-21(20)26)29-23(30)9-5-16-14-28-22-8-4-15(12-19(22)24(16)29)11-17-3-1-2-10-27-17;1-15-4-6-20(10-16(15)2)28-23(29)9-5-18-13-26-22-8-7-19(11-21(22)24(18)28)27-14-25-12-17(27)3;24-18-12-16(4-5-19(18)25)29-22(30)7-3-15-13-28-20-6-2-14(10-17(20)23(15)29)11-21-26-8-1-9-27-21;1-13-10-28-12-30(13)15-4-6-20-17(8-15)22-14(11-29-20)2-7-21(32)31(22)16-3-5-19(24)18(9-16)23(25,26)27;1-14-9-18(4-6-20(14)24)28-22(29)8-3-16-12-26-21-7-5-17(10-19(21)23(16)28)27-13-25-11-15(27)2/h1-10,12-14H,11H2;4-14H,1-3H3;1-10,12-13H,11H2;2-12H,1H3;3-13H,1-2H3
• InChIKey: NTPSSPWKZWGJSD-UHFFFAOYSA-N
• XLogP: 24.35
• TPSA: 266.58 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2035.95
LogP ≤ 5	24.35
H-Bond Donors ≤ 5	0
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-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one?

The IUPAC name of 1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one (CID 159881819) is 1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one is Cc1cc(-n2c(=O)ccc3cnc4ccc(-n5cncc5C)cc4c32)ccc1F.Cc1ccc(-n2c(=O)ccc3cnc4ccc(-n5cncc5C)cc4c32)cc1C.Cc1cncn1-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(C(F)(F)F)c4)c3c2c1.O=c1ccc2cnc3ccc(Cc4ccccn4)cc3c2n1-c1ccc(F)c(Cl)c1.O=c1ccc2cnc3ccc(Cc4ncccn4)cc3c2n1-c1ccc(F)c(Cl)c1.

What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one?

The InChIKey is NTPSSPWKZWGJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN3O.C24H20N4O.C23H14ClFN4O.C23H14F4N4O.C23H17FN4O/c25-20-13-18(6-7-21(20)26)29-23(30)9-5-16-14-28-22-8-4-15(12-19(22)24(16)29)11-17-3-1-2-10-27-17;1-15-4-6-20(10-16(15)2)28-23(29)9-5-18-13-26-22-8-7-19(11-21(22)24(18)28)27-14-25-12-17(27)3;24-18-12-16(4-5-19(18)25)29-22(30)7-3-15-13-28-20-6-2-14(10-17(20)23(15)29)11-21-26-8-1-9-27-21;1-13-10-28-12-30(13)15-4-6-20-17(8-15)22-14(11-29-20)2-7-21(32)31(22)16-3-5-19(24)18(9-16)23(25,26)27;1-14-9-18(4-6-20(14)24)28-22(29)8-3-16-12-26-21-7-5-17(10-19(21)23(16)28)27-13-25-11-15(27)2/h1-10,12-14H,11H2;4-14H,1-3H3;1-10,12-13H,11H2;2-12H,1H3;3-13H,1-2H3.

What are the key properties of 1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one?

1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one has a molecular weight of 2035.95 g/mol, XLogP of 24.35, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-4-fluorophenyl)-9-(pyridin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-fluorophenyl)-9-(pyrimidin-2-ylmethyl)benzo[h][1,6]naphthyridin-2-one;1-(3,4-dimethylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(5-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 159881819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).