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

• ChemBase ID: 467446
• Molecular Formular: C31H38N2O5
• Molecular Mass: 518.64382
• Monoisotopic Mass: 518.27807233
• SMILES: n1c(c(cc2c1c(ccc2OC)OC)CN(C(=O)CC1CCCC1)CC1OCCC1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1nc2c(OC)ccc(c2cc1CN(C(=O)CC1CCCC1)CC1CCCO1)OC
• InChI: InChI=1S/C31H38N2O5/c1-35-26-13-7-6-12-24(26)30-22(18-25-27(36-2)14-15-28(37-3)31(25)32-30)19-33(20-23-11-8-16-38-23)29(34)17-21-9-4-5-10-21/h6-7,12-15,18,21,23H,4-5,8-11,16-17,19-20H2,1-3H3
• InChIKey: DTAMEHLWIYKIJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.135317
• LogD (pH = 7.4): 5.135377
• Log P: 5.1353774
• Molar Refractivity: 146.378 cm^3
• Polarizability: 59.853676 Å^3
• Polar Surface Area: 70.12 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: 5.68
• LOG S: -6.14
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 7