N-{[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl}-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-1-yl)benzamide

• ChemBase ID: 859089
• Molecular Formular: C34H34N4O5
• Molecular Mass: 578.65756
• Monoisotopic Mass: 578.25292021
• SMILES: n1c(c(cc2c1c(ccc2OC)OC)CN(C(=O)c1ccc(n2nccc2)cc1)CC1OCCC1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1nc2c(OC)ccc(c2cc1CN(C(=O)c1ccc(cc1)n1cccn1)CC1CCCO1)OC
• InChI: InChI=1S/C34H34N4O5/c1-40-29-10-5-4-9-27(29)32-24(20-28-30(41-2)15-16-31(42-3)33(28)36-32)21-37(22-26-8-6-19-43-26)34(39)23-11-13-25(14-12-23)38-18-7-17-35-38/h4-5,7,9-18,20,26H,6,8,19,21-22H2,1-3H3
• InChIKey: IALZQWYCZFCMNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl}-N-(oxolan-2-ylmethyl)-4-(1H-pyrazol-1-yl)benzamide
• IUPAC Traditional name: N-{[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl}-N-(oxolan-2-ylmethyl)-4-(pyrazol-1-yl)benzamide
• Synonyms: N-{[5,8-dimethoxy-2-(2-methoxyphenyl)-3-quinolinyl]methyl}-4-(1H-pyrazol-1-yl)-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 5.217718
• LogD (pH = 7.4): 5.217834
• Log P: 5.2178354
• Molar Refractivity: 164.2339 cm^3
• Polarizability: 65.991234 Å^3
• Polar Surface Area: 87.94 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 5.76
• LOG S: -7.07
• Polar Surface Area: 87.94 Å^2
• Rotatable Bonds: 7