N-{[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl}-2-fluoro-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 860397
• Molecular Formular: C31H31FN2O5
• Molecular Mass: 530.5866432
• Monoisotopic Mass: 530.22170032
• SMILES: C(=O)(N(Cc1c(nc2c(c1)cc(c(c2)OC)OC)c1cc(OC)ccc1)CC1OCCC1)c1c(F)cccc1
• Canonical SMILES: COc1cccc(c1)c1nc2cc(OC)c(cc2cc1CN(C(=O)c1ccccc1F)CC1CCCO1)OC
• InChI: InChI=1S/C31H31FN2O5/c1-36-23-9-6-8-20(15-23)30-22(14-21-16-28(37-2)29(38-3)17-27(21)33-30)18-34(19-24-10-7-13-39-24)31(35)25-11-4-5-12-26(25)32/h4-6,8-9,11-12,14-17,24H,7,10,13,18-19H2,1-3H3
• InChIKey: WTDYZZAEGVARCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl}-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: N-{[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl}-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: N-{[6,7-dimethoxy-2-(3-methoxyphenyl)-3-quinolinyl]methyl}-2-fluoro-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.260706
• LogD (pH = 7.4): 5.2745395
• Log P: 5.2747188
• Molar Refractivity: 146.0886 cm^3
• Polarizability: 58.52444 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: 5.66
• LOG S: -5.61
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 6