2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-{[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl}acetamide

• ChemBase ID: 481163
• Molecular Formular: C32H37N3O3
• Molecular Mass: 511.65448
• Monoisotopic Mass: 511.28349206
• SMILES: n1c(c(CN(C(=O)Cc2c(ccc(c2)OC)OC)CCN(C)C)cc2c1c(ccc2)C)c1cc(ccc1)C
• Canonical SMILES: COc1ccc(c(c1)CC(=O)N(Cc1cc2cccc(c2nc1c1cccc(c1)C)C)CCN(C)C)OC
• InChI: InChI=1S/C32H37N3O3/c1-22-9-7-11-24(17-22)32-27(18-25-12-8-10-23(2)31(25)33-32)21-35(16-15-34(3)4)30(36)20-26-19-28(37-5)13-14-29(26)38-6/h7-14,17-19H,15-16,20-21H2,1-6H3
• InChIKey: BEINXSPJKVJMRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-{[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl}acetamide
• IUPAC Traditional name: 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-{[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl}acetamide
• Synonyms: 2-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-{[8-methyl-2-(3-methylphenyl)-3-quinolinyl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0374424
• LogD (pH = 7.4): 4.797828
• Log P: 5.896752
• Molar Refractivity: 153.3072 cm^3
• Polarizability: 61.77387 Å^3
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.94
• LOG S: -4.7
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 7