2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane

C57H55F4N7O3 — CID 143113457

About 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane

2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane (PubChem CID 143113457) has the molecular formula C57H55F4N7O3 and a molecular weight of 962.10 g/mol. Its IUPAC name is 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane.

Molecular Properties

• Compound Name: 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane
• PubChem CID: 143113457
• Molecular Formula: C57H55F4N7O3
• Molecular Weight: 962.10 g/mol
• Exact Mass: 961.43
• IUPAC Name: 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane
• SMILES: CC.CC.Cc1cc(OCC2CC2)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(NCc3ccc(F)cc3)cc(C(F)(F)F)c12
• InChI: InChI=1S/C28H20F4N4O.C25H23N3O2.2C2H6/c29-19-13-11-18(12-14-19)17-33-24-15-22(28(30,31)32)26-23(37)16-25(34-20-7-3-1-4-8-20)36(27(26)35-24)21-9-5-2-6-10-21;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;2*1-2/h1-16,34H,17H2,(H,33,35);2-11,14-15,18,27H,12-13,16H2,1H3;2*1-2H3
• InChIKey: QSFKRMMXNBGESO-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 115.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	962.10
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane?

The IUPAC name of 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane (CID 143113457) is 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane.

What is the SMILES notation for 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane?

The canonical SMILES for 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane is CC.CC.Cc1cc(OCC2CC2)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(NCc3ccc(F)cc3)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-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane?

The InChIKey is QSFKRMMXNBGESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F4N4O.C25H23N3O2.2C2H6/c29-19-13-11-18(12-14-19)17-33-24-15-22(28(30,31)32)26-23(37)16-25(34-20-7-3-1-4-8-20)36(27(26)35-24)21-9-5-2-6-10-21;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;2*1-2/h1-16,34H,17H2,(H,33,35);2-11,14-15,18,27H,12-13,16H2,1H3;2*1-2H3.

What are the key properties of 2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane?

2-anilino-5-(cyclopropylmethoxy)-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane has a molecular weight of 962.10 g/mol, XLogP of 14.18, 12 rotatable bonds, 3 hydrogen bond donors, and 10 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-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethane is sourced from PubChem (CID 143113457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).