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

• ChemBase ID: 631052
• Molecular Formular: C31H38N2O5
• Molecular Mass: 518.64382
• Monoisotopic Mass: 518.27807233
• SMILES: n1c(c(cc2c1c(ccc2OC)OC)CN(C(=O)C1CCCCC1)CC1OCCC1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1nc2c(OC)ccc(c2cc1CN(C(=O)C1CCCCC1)CC1CCCO1)OC
• InChI: InChI=1S/C31H38N2O5/c1-35-26-14-8-7-13-24(26)29-22(18-25-27(36-2)15-16-28(37-3)30(25)32-29)19-33(20-23-12-9-17-38-23)31(34)21-10-5-4-6-11-21/h7-8,13-16,18,21,23H,4-6,9-12,17,19-20H2,1-3H3
• InChIKey: NCHZJKBWEOCEDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.3912835
• LogD (pH = 7.4): 5.391344
• Log P: 5.3913445
• Molar Refractivity: 146.4039 cm^3
• Polarizability: 59.853676 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: 5.62
• LOG S: -5.47
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 6