7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C100H79F9N14O7S — CID 159215185

About 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 159215185) has the molecular formula C100H79F9N14O7S and a molecular weight of 1791.87 g/mol. Its IUPAC name is 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
• PubChem CID: 159215185
• Molecular Formula: C100H79F9N14O7S
• Molecular Weight: 1791.87 g/mol
• Exact Mass: 1790.58
• IUPAC Name: 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
• SMILES: CC(=O)c1cccc(-c2ccc3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)c1.CCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.NC(=O)CSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCCCC3)cc(C(F)(F)F)c12
• InChI: InChI=1S/C28H21N3O2.C26H23F3N4O.C23H17F3N4O2S.C23H18F3N3O2/c1-19(32)20-9-8-10-21(17-20)25-16-15-24-26(33)18-27(29-22-11-4-2-5-12-22)31(28(24)30-25)23-13-6-3-7-14-23;27-26(28,29)20-16-22(32-14-8-3-9-15-32)31-25-24(20)21(34)17-23(30-18-10-4-1-5-11-18)33(25)19-12-6-2-7-13-19;24-23(25,26)16-11-20(33-13-18(27)32)29-22-21(16)17(31)12-19(28-14-7-3-1-4-8-14)30(22)15-9-5-2-6-10-15;1-2-31-20-13-17(23(24,25)26)21-18(30)14-19(27-15-9-5-3-6-10-15)29(22(21)28-20)16-11-7-4-8-12-16/h2-18,29H,1H3;1-2,4-7,10-13,16-17,30H,3,8-9,14-15H2;1-12,28H,13H2,(H2,27,32);3-14,27H,2H2,1H3
• InChIKey: KQYYVRNYMKWLBT-UHFFFAOYSA-N
• XLogP: 22.41
• TPSA: 260.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1791.87
LogP ≤ 5	22.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?

The IUPAC name of 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 159215185) is 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

What is the SMILES notation for 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?

The canonical SMILES for 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CC(=O)c1cccc(-c2ccc3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)c1.CCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.NC(=O)CSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCCCC3)cc(C(F)(F)F)c12.

What is the InChIKey of 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?

The InChIKey is KQYYVRNYMKWLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2.C26H23F3N4O.C23H17F3N4O2S.C23H18F3N3O2/c1-19(32)20-9-8-10-21(17-20)25-16-15-24-26(33)18-27(29-22-11-4-2-5-12-22)31(28(24)30-25)23-13-6-3-7-14-23;27-26(28,29)20-16-22(32-14-8-3-9-15-32)31-25-24(20)21(34)17-23(30-18-10-4-1-5-11-18)33(25)19-12-6-2-7-13-19;24-23(25,26)16-11-20(33-13-18(27)32)29-22-21(16)17(31)12-19(28-14-7-3-1-4-8-14)30(22)15-9-5-2-6-10-15;1-2-31-20-13-17(23(24,25)26)21-18(30)14-19(27-15-9-5-3-6-10-15)29(22(21)28-20)16-11-7-4-8-12-16/h2-18,29H,1H3;1-2,4-7,10-13,16-17,30H,3,8-9,14-15H2;1-12,28H,13H2,(H2,27,32);3-14,27H,2H2,1H3.

What are the key properties of 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?

7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 1791.87 g/mol, XLogP of 22.41, 20 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-acetylphenyl)-2-anilino-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 159215185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).