N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-3-(4-methylphenyl)propanamide

• ChemBase ID: 728431
• Molecular Formular: C31H35N3O5
• Molecular Mass: 529.6267
• Monoisotopic Mass: 529.25767124
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N1CCOCC1)CN(C(=O)CCc1ccc(cc1)C)Cc1occc1
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)CCc1ccc(cc1)C)Cc1ccco1)c(n2)N1CCOCC1)OC
• InChI: InChI=1S/C31H35N3O5/c1-22-6-8-23(9-7-22)10-13-29(35)34(21-25-5-4-16-39-25)20-24-19-26-27(36-2)11-12-28(37-3)30(26)32-31(24)33-14-17-38-18-15-33/h4-9,11-12,16,19H,10,13-15,17-18,20-21H2,1-3H3
• InChIKey: VAEBMNMNPQMBKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-3-(4-methylphenyl)propanamide
• IUPAC Traditional name: N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-3-(4-methylphenyl)propanamide
• Synonyms: N-{[5,8-dimethoxy-2-(4-morpholinyl)-3-quinolinyl]methyl}-N-(2-furylmethyl)-3-(4-methylphenyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.023366
• LogD (pH = 7.4): 5.0446215
• Log P: 5.0448995
• Molar Refractivity: 150.9038 cm^3
• Polarizability: 58.67218 Å^3
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 5.54
• LOG S: -6.16
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 8