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

• ChemBase ID: 691737
• Molecular Formular: C30H33N3O3
• Molecular Mass: 483.60132
• Monoisotopic Mass: 483.25219193
• SMILES: c1(c(nc2c(c1)ccc(c2)OC)N(C)C)CN(C(=O)C(c1ccccc1)c1ccccc1)CCOC
• Canonical SMILES: COCCN(C(=O)C(c1ccccc1)c1ccccc1)Cc1cc2ccc(cc2nc1N(C)C)OC
• InChI: InChI=1S/C30H33N3O3/c1-32(2)29-25(19-24-15-16-26(36-4)20-27(24)31-29)21-33(17-18-35-3)30(34)28(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-16,19-20,28H,17-18,21H2,1-4H3
• InChIKey: ZRYZSWNTQFDXIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.752436
• LogD (pH = 7.4): 5.293686
• Log P: 5.308176
• Molar Refractivity: 144.4334 cm^3
• Polarizability: 56.4467 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: 4
• H Donor: 0
• Log P: 5.54
• LOG S: -4.25
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 7