2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C116H96F5N17O7S2 — CID 157463893

About 2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 157463893) has the molecular formula C116H96F5N17O7S2 and a molecular weight of 1999.28 g/mol. Its IUPAC name is 2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
• PubChem CID: 157463893
• Molecular Formula: C116H96F5N17O7S2
• Molecular Weight: 1999.28 g/mol
• Exact Mass: 1997.70
• IUPAC Name: 2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
• SMILES: CCc1c(F)cnc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1c(F)cnc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(N2CCN(S(C)(=O)=O)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2nc1C.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccsc3)cc(C(F)(F)F)c12
• InChI: InChI=1S/C26H27N5O3S.C25H16F3N3OS.C22H18FN3O.C22H19N3O.C21H16FN3O/c1-19-17-23(29-13-15-30(16-14-29)35(2,33)34)28-26-25(19)22(32)18-24(27-20-9-5-3-6-10-20)31(26)21-11-7-4-8-12-21;26-25(27,28)19-13-20(16-11-12-33-15-16)30-24-23(19)21(32)14-22(29-17-7-3-1-4-8-17)31(24)18-9-5-2-6-10-18;1-2-17-18(23)14-24-22-21(17)19(27)13-20(25-15-9-5-3-6-10-15)26(22)16-11-7-4-8-12-16;1-15-13-19-20(26)14-21(24-17-9-5-3-6-10-17)25(22(19)23-16(15)2)18-11-7-4-8-12-18;1-14-17(22)13-23-21-20(14)18(26)12-19(24-15-8-4-2-5-9-15)25(21)16-10-6-3-7-11-16/h3-12,17-18,27H,13-16H2,1-2H3;1-15,29H;3-14,25H,2H2,1H3;3-14,24H,1-2H3;2-13,24H,1H3
• InChIKey: BUGBEYBRYWUIKM-UHFFFAOYSA-N
• XLogP: 24.55
• TPSA: 275.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1999.28
LogP ≤ 5	24.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?

The IUPAC name of 2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 157463893) is 2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

What is the SMILES notation for 2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?

The canonical SMILES for 2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CCc1c(F)cnc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1c(F)cnc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(N2CCN(S(C)(=O)=O)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2nc1C.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccsc3)cc(C(F)(F)F)c12.

What is the InChIKey of 2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?

The InChIKey is BUGBEYBRYWUIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S.C25H16F3N3OS.C22H18FN3O.C22H19N3O.C21H16FN3O/c1-19-17-23(29-13-15-30(16-14-29)35(2,33)34)28-26-25(19)22(32)18-24(27-20-9-5-3-6-10-20)31(26)21-11-7-4-8-12-21;26-25(27,28)19-13-20(16-11-12-33-15-16)30-24-23(19)21(32)14-22(29-17-7-3-1-4-8-17)31(24)18-9-5-2-6-10-18;1-2-17-18(23)14-24-22-21(17)19(27)13-20(25-15-9-5-3-6-10-15)26(22)16-11-7-4-8-12-16;1-15-13-19-20(26)14-21(24-17-9-5-3-6-10-17)25(22(19)23-16(15)2)18-11-7-4-8-12-18;1-14-17(22)13-23-21-20(14)18(26)12-19(24-15-8-4-2-5-9-15)25(21)16-10-6-3-7-11-16/h3-12,17-18,27H,13-16H2,1-2H3;1-15,29H;3-14,25H,2H2,1H3;3-14,24H,1-2H3;2-13,24H,1H3.

What are the key properties of 2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?

2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 1999.28 g/mol, XLogP of 24.55, 19 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 157463893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).