2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one

C97H84F6N12O8 — CID 161096323

About 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one

2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one (PubChem CID 161096323) has the molecular formula C97H84F6N12O8 and a molecular weight of 1659.80 g/mol. Its IUPAC name is 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one
• PubChem CID: 161096323
• Molecular Formula: C97H84F6N12O8
• Molecular Weight: 1659.80 g/mol
• Exact Mass: 1658.64
• IUPAC Name: 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one
• SMILES: Cc1cc(OC(C)C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(OCC(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(OCC2CC2)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCC3CC3)cc(C(F)(F)F)c12
• InChI: InChI=1S/C25H20F3N3O2.C25H23N3O2.C24H23N3O2.C23H18F3N3O2/c26-25(27,28)19-13-22(33-15-16-11-12-16)30-24-23(19)20(32)14-21(29-17-7-3-1-4-8-17)31(24)18-9-5-2-6-10-18;1-17-14-22(30-16-18-12-13-18)24-21(29)15-23(27-19-8-4-2-5-9-19)28(25(24)26-17)20-10-6-3-7-11-20;1-16(2)29-21-14-17(3)25-24-23(21)20(28)15-22(26-18-10-6-4-7-11-18)27(24)19-12-8-5-9-13-19;1-15-12-19(31-14-23(24,25)26)21-18(30)13-20(28-16-8-4-2-5-9-16)29(22(21)27-15)17-10-6-3-7-11-17/h1-10,13-14,16,29H,11-12,15H2;2-11,14-15,18,27H,12-13,16H2,1H3;4-16,26H,1-3H3;2-13,28H,14H2,1H3
• InChIKey: UHVNTOOKFMDDJM-UHFFFAOYSA-N
• XLogP: 21.77
• TPSA: 224.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1659.80
LogP ≤ 5	21.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one?

The IUPAC name of 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one (CID 161096323) is 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one.

What is the SMILES notation for 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one?

The canonical SMILES for 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one is Cc1cc(OC(C)C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(OCC(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(OCC2CC2)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCC3CC3)cc(C(F)(F)F)c12.

What is the InChIKey of 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one?

The InChIKey is UHVNTOOKFMDDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2.C25H23N3O2.C24H23N3O2.C23H18F3N3O2/c26-25(27,28)19-13-22(33-15-16-11-12-16)30-24-23(19)20(32)14-21(29-17-7-3-1-4-8-17)31(24)18-9-5-2-6-10-18;1-17-14-22(30-16-18-12-13-18)24-21(29)15-23(27-19-8-4-2-5-9-19)28(25(24)26-17)20-10-6-3-7-11-20;1-16(2)29-21-14-17(3)25-24-23(21)20(28)15-22(26-18-10-6-4-7-11-18)27(24)19-12-8-5-9-13-19;1-15-12-19(31-14-23(24,25)26)21-18(30)13-20(28-16-8-4-2-5-9-16)29(22(21)27-15)17-10-6-3-7-11-17/h1-10,13-14,16,29H,11-12,15H2;2-11,14-15,18,27H,12-13,16H2,1H3;4-16,26H,1-3H3;2-13,28H,14H2,1H3.

What are the key properties of 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one?

2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one has a molecular weight of 1659.80 g/mol, XLogP of 21.77, 22 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one is sourced from PubChem (CID 161096323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).