N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)propanamide

• ChemBase ID: 705340
• Molecular Formular: C29H33N3O5
• Molecular Mass: 503.58942
• Monoisotopic Mass: 503.24202117
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N(C)C)CN(C(=O)CCc1c(OC)cccc1)Cc1occc1
• Canonical SMILES: COc1ccccc1CCC(=O)N(Cc1cc2c(OC)ccc(c2nc1N(C)C)OC)Cc1ccco1
• InChI: InChI=1S/C29H33N3O5/c1-31(2)29-21(17-23-25(35-4)13-14-26(36-5)28(23)30-29)18-32(19-22-10-8-16-37-22)27(33)15-12-20-9-6-7-11-24(20)34-3/h6-11,13-14,16-17H,12,15,18-19H2,1-5H3
• InChIKey: VRISYMUVPOGOGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
• Synonyms: N-{[2-(dimethylamino)-5,8-dimethoxy-3-quinolinyl]methyl}-N-(2-furylmethyl)-3-(2-methoxyphenyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.5646152
• LogD (pH = 7.4): 4.591947
• Log P: 4.5923076
• Molar Refractivity: 143.2513 cm^3
• Polarizability: 55.77829 Å^3
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 5.3
• LOG S: -5.29
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 7