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

• ChemBase ID: 863048
• Molecular Formular: C28H30N2O4
• Molecular Mass: 458.5488
• Monoisotopic Mass: 458.22055745
• SMILES: n1c(c(cc2c1c(ccc2OC)OC)CN(C(=O)C(C)C)Cc1occc1)c1cc(ccc1)C
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)C(C)C)Cc1ccco1)c(n2)c1cccc(c1)C)OC
• InChI: InChI=1S/C28H30N2O4/c1-18(2)28(31)30(17-22-10-7-13-34-22)16-21-15-23-24(32-4)11-12-25(33-5)27(23)29-26(21)20-9-6-8-19(3)14-20/h6-15,18H,16-17H2,1-5H3
• InChIKey: LIGMKBAEMUWXBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.5582685
• LogD (pH = 7.4): 5.558584
• Log P: 5.558588
• Molar Refractivity: 131.7299 cm^3
• Polarizability: 53.444057 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.31
• LOG S: -4.3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 5