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

C145H125F7N20O10S3 — CID 158456869

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

2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)propanoic acid;2-anilino-7-(2-methylpropylsulfanyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5,6,7-trimethyl-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 158456869) has the molecular formula C145H125F7N20O10S3 and a molecular weight of 2536.91 g/mol. Its IUPAC name is 2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)propanoic acid;2-anilino-7-(2-methylpropylsulfanyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5,6,7-trimethyl-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)propanoic acid;2-anilino-7-(2-methylpropylsulfanyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5,6,7-trimethyl-1-phenyl-1,8-naphthyridin-4-one
• PubChem CID: 158456869
• Molecular Formula: C145H125F7N20O10S3
• Molecular Weight: 2536.91 g/mol
• Exact Mass: 2534.89
• IUPAC Name: 2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)propanoic acid;2-anilino-7-(2-methylpropylsulfanyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5,6,7-trimethyl-1-phenyl-1,8-naphthyridin-4-one
• SMILES: CC(C)CSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CCc1c(F)cnc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(N2CCN(S(C)(=O)=O)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1nc2c(c(C)c1C)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1nc2c(cc1CCC(=O)O)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccsc3)cc(C(F)(F)F)c12
• InChI: InChI=1S/C26H27N5O3S.C25H16F3N3OS.C25H22F3N3OS.C24H21N3O3.C23H21N3O.C22H18FN3O/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;1-16(2)15-33-22-13-19(25(26,27)28)23-20(32)14-21(29-17-9-5-3-6-10-17)31(24(23)30-22)18-11-7-4-8-12-18;1-16-17(12-13-23(29)30)14-20-21(28)15-22(26-18-8-4-2-5-9-18)27(24(20)25-16)19-10-6-3-7-11-19;1-15-16(2)22-20(27)14-21(25-18-10-6-4-7-11-18)26(23(22)24-17(15)3)19-12-8-5-9-13-19;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/h3-12,17-18,27H,13-16H2,1-2H3;1-15,29H;3-14,16,29H,15H2,1-2H3;2-11,14-15,26H,12-13H2,1H3,(H,29,30);4-14,25H,1-3H3;3-14,25H,2H2,1H3
• InChIKey: HERHKOTUAOITTG-UHFFFAOYSA-N
• XLogP: 31.63
• TPSA: 359.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2536.91
LogP ≤ 5	31.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)propanoic acid;2-anilino-7-(2-methylpropylsulfanyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5,6,7-trimethyl-1-phenyl-1,8-naphthyridin-4-one (CID 158456869) is 2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)propanoic acid;2-anilino-7-(2-methylpropylsulfanyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5,6,7-trimethyl-1-phenyl-1,8-naphthyridin-4-one.

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

The canonical SMILES for 2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)propanoic acid;2-anilino-7-(2-methylpropylsulfanyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5,6,7-trimethyl-1-phenyl-1,8-naphthyridin-4-one is CC(C)CSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.CCc1c(F)cnc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(N2CCN(S(C)(=O)=O)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1nc2c(c(C)c1C)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1nc2c(cc1CCC(=O)O)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccsc3)cc(C(F)(F)F)c12.

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

The InChIKey is HERHKOTUAOITTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S.C25H16F3N3OS.C25H22F3N3OS.C24H21N3O3.C23H21N3O.C22H18FN3O/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;1-16(2)15-33-22-13-19(25(26,27)28)23-20(32)14-21(29-17-9-5-3-6-10-17)31(24(23)30-22)18-11-7-4-8-12-18;1-16-17(12-13-23(29)30)14-20-21(28)15-22(26-18-8-4-2-5-9-18)27(24(20)25-16)19-10-6-3-7-11-19;1-15-16(2)22-20(27)14-21(25-18-10-6-4-7-11-18)26(23(22)24-17(15)3)19-12-8-5-9-13-19;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/h3-12,17-18,27H,13-16H2,1-2H3;1-15,29H;3-14,16,29H,15H2,1-2H3;2-11,14-15,26H,12-13H2,1H3,(H,29,30);4-14,25H,1-3H3;3-14,25H,2H2,1H3.

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

2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)propanoic acid;2-anilino-7-(2-methylpropylsulfanyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5,6,7-trimethyl-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 2536.91 g/mol, XLogP of 31.63, 28 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)propanoic acid;2-anilino-7-(2-methylpropylsulfanyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5,6,7-trimethyl-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 158456869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).