2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one

C123H104F3N19O5S — CID 161425365

About 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one

2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one (PubChem CID 161425365) has the molecular formula C123H104F3N19O5S and a molecular weight of 2017.37 g/mol. Its IUPAC name is 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one
• PubChem CID: 161425365
• Molecular Formula: C123H104F3N19O5S
• Molecular Weight: 2017.37 g/mol
• Exact Mass: 2015.81
• IUPAC Name: 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one
• SMILES: Cc1cc(N2CCN(C)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(N2CCNCC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1ccc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3cccs3)ccc12
• InChI: InChI=1S/C27H18F3N3O.C26H27N5O.C25H25N5O.C24H17N3OS.C21H17N3O/c28-27(29,30)21-16-22(18-10-4-1-5-11-18)32-26-25(21)23(34)17-24(31-19-12-6-2-7-13-19)33(26)20-14-8-3-9-15-20;1-19-17-23(30-15-13-29(2)14-16-30)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;1-18-16-22(29-14-12-26-13-15-29)28-25-24(18)21(31)17-23(27-19-8-4-2-5-9-19)30(25)20-10-6-3-7-11-20;28-21-16-23(25-17-8-3-1-4-9-17)27(18-10-5-2-6-11-18)24-19(21)13-14-20(26-24)22-12-7-15-29-22;1-15-12-13-18-19(25)14-20(23-16-8-4-2-5-9-16)24(21(18)22-15)17-10-6-3-7-11-17/h1-17,31H;3-12,17-18,27H,13-16H2,1-2H3;2-11,16-17,26-27H,12-15H2,1H3;1-16,25H;2-14,23H,1H3
• InChIKey: VXHBUOYMBMGXGO-UHFFFAOYSA-N
• XLogP: 25.15
• TPSA: 256.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2017.37
LogP ≤ 5	25.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one?

The IUPAC name of 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one (CID 161425365) is 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one.

What is the SMILES notation for 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one?

The canonical SMILES for 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one is Cc1cc(N2CCN(C)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(N2CCNCC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1ccc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3cccs3)ccc12.

What is the InChIKey of 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one?

The InChIKey is VXHBUOYMBMGXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N3O.C26H27N5O.C25H25N5O.C24H17N3OS.C21H17N3O/c28-27(29,30)21-16-22(18-10-4-1-5-11-18)32-26-25(21)23(34)17-24(31-19-12-6-2-7-13-19)33(26)20-14-8-3-9-15-20;1-19-17-23(30-15-13-29(2)14-16-30)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;1-18-16-22(29-14-12-26-13-15-29)28-25-24(18)21(31)17-23(27-19-8-4-2-5-9-19)30(25)20-10-6-3-7-11-20;28-21-16-23(25-17-8-3-1-4-9-17)27(18-10-5-2-6-11-18)24-19(21)13-14-20(26-24)22-12-7-15-29-22;1-15-12-13-18-19(25)14-20(23-16-8-4-2-5-9-16)24(21(18)22-15)17-10-6-3-7-11-17/h1-17,31H;3-12,17-18,27H,13-16H2,1-2H3;2-11,16-17,26-27H,12-15H2,1H3;1-16,25H;2-14,23H,1H3.

What are the key properties of 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one?

2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one has a molecular weight of 2017.37 g/mol, XLogP of 25.15, 19 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one is sourced from PubChem (CID 161425365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).