N-cyclopropyl-N-{[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl}-4-methylbenzamide

• ChemBase ID: 469982
• Molecular Formular: C30H30N2O3
• Molecular Mass: 466.5708
• Monoisotopic Mass: 466.22564283
• SMILES: N(C(=O)c1ccc(cc1)C)(Cc1c(nc2c(c1)ccc(c2)C)c1cc(c(cc1)OC)OC)C1CC1
• Canonical SMILES: COc1ccc(cc1OC)c1nc2cc(C)ccc2cc1CN(C(=O)c1ccc(cc1)C)C1CC1
• InChI: InChI=1S/C30H30N2O3/c1-19-5-8-21(9-6-19)30(33)32(25-12-13-25)18-24-16-22-10-7-20(2)15-26(22)31-29(24)23-11-14-27(34-3)28(17-23)35-4/h5-11,14-17,25H,12-13,18H2,1-4H3
• InChIKey: KFVBPSMYQQSWRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-{[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl}-4-methylbenzamide
• IUPAC Traditional name: N-cyclopropyl-N-{[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl}-4-methylbenzamide
• Synonyms: N-cyclopropyl-N-{[2-(3,4-dimethoxyphenyl)-7-methyl-3-quinolinyl]methyl}-4-methylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.351217
• LogD (pH = 7.4): 6.3633494
• Log P: 6.3635063
• Molar Refractivity: 138.4479 cm^3
• Polarizability: 55.5954 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.55
• LOG S: -5.39
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 5