N-{[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl}-4-methyl-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 606337
• Molecular Formular: C32H34N2O5
• Molecular Mass: 526.62276
• Monoisotopic Mass: 526.2467722
• SMILES: n1c(c(cc2c1c(ccc2OC)OC)CN(C(=O)c1ccc(cc1)C)CC1OCCC1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1nc2c(OC)ccc(c2cc1CN(C(=O)c1ccc(cc1)C)CC1CCCO1)OC
• InChI: InChI=1S/C32H34N2O5/c1-21-11-13-22(14-12-21)32(35)34(20-24-8-7-17-39-24)19-23-18-26-28(37-3)15-16-29(38-4)31(26)33-30(23)25-9-5-6-10-27(25)36-2/h5-6,9-16,18,24H,7-8,17,19-20H2,1-4H3
• InChIKey: AJWNSRHENKSHMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl}-4-methyl-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: N-{[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl}-4-methyl-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: N-{[5,8-dimethoxy-2-(2-methoxyphenyl)-3-quinolinyl]methyl}-4-methyl-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.645378
• LogD (pH = 7.4): 5.6454377
• Log P: 5.645438
• Molar Refractivity: 150.9134 cm^3
• Polarizability: 60.682167 Å^3
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 5.73
• LOG S: -6.37
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 6