N-cyclopropyl-N-{[2-(dimethylamino)-7-methylquinolin-3-yl]methyl}-2,2-diphenylacetamide

• ChemBase ID: 458096
• Molecular Formular: C30H31N3O
• Molecular Mass: 449.58664
• Monoisotopic Mass: 449.24671263
• SMILES: C(=O)(N(Cc1c(nc2c(c1)ccc(c2)C)N(C)C)C1CC1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1ccc2c(c1)nc(c(c2)CN(C(=O)C(c1ccccc1)c1ccccc1)C1CC1)N(C)C
• InChI: InChI=1S/C30H31N3O/c1-21-14-15-24-19-25(29(32(2)3)31-27(24)18-21)20-33(26-16-17-26)30(34)28(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,18-19,26,28H,16-17,20H2,1-3H3
• InChIKey: RWBOKNLOUBILEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-{[2-(dimethylamino)-7-methylquinolin-3-yl]methyl}-2,2-diphenylacetamide
• IUPAC Traditional name: N-cyclopropyl-N-{[2-(dimethylamino)-7-methylquinolin-3-yl]methyl}-2,2-diphenylacetamide
• Synonyms: N-cyclopropyl-N-{[2-(dimethylamino)-7-methyl-3-quinolinyl]methyl}-2,2-diphenylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.9229426
• LogD (pH = 7.4): 6.476689
• Log P: 6.491809
• Molar Refractivity: 139.1791 cm^3
• Polarizability: 54.33591 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 5.73
• LOG S: -5.84
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6