N-{[7-chloro-2-(2,5-dimethoxyphenyl)quinolin-3-yl]methyl}-N-[(4-methoxyphenyl)methyl]propanamide

• ChemBase ID: 412263
• Molecular Formular: C29H29ClN2O4
• Molecular Mass: 505.00456
• Monoisotopic Mass: 504.1815851
• SMILES: c1(nc2c(cc1CN(C(=O)CC)Cc1ccc(cc1)OC)ccc(c2)Cl)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CC)Cc1cc2ccc(cc2nc1c1cc(OC)ccc1OC)Cl
• InChI: InChI=1S/C29H29ClN2O4/c1-5-28(33)32(17-19-6-10-23(34-2)11-7-19)18-21-14-20-8-9-22(30)15-26(20)31-29(21)25-16-24(35-3)12-13-27(25)36-4/h6-16H,5,17-18H2,1-4H3
• InChIKey: ILGPRFIBTDGJNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-chloro-2-(2,5-dimethoxyphenyl)quinolin-3-yl]methyl}-N-[(4-methoxyphenyl)methyl]propanamide
• IUPAC Traditional name: N-{[7-chloro-2-(2,5-dimethoxyphenyl)quinolin-3-yl]methyl}-N-[(4-methoxyphenyl)methyl]propanamide
• Synonyms: N-{[7-chloro-2-(2,5-dimethoxyphenyl)-3-quinolinyl]methyl}-N-(4-methoxybenzyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.888211
• LogD (pH = 7.4): 5.8883057
• Log P: 5.888307
• Molar Refractivity: 140.9913 cm^3
• Polarizability: 57.33586 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.95
• LOG S: -5.09
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 5