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

• ChemBase ID: 512278
• Molecular Formular: C31H31FN2O5
• Molecular Mass: 530.5866432
• Monoisotopic Mass: 530.22170032
• SMILES: n1c(c(cc2c1c(ccc2OC)OC)CN(C(=O)c1cc(F)ccc1)CC1OCCC1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1nc2c(OC)ccc(c2cc1CN(C(=O)c1cccc(c1)F)CC1CCCO1)OC
• InChI: InChI=1S/C31H31FN2O5/c1-36-26-12-5-4-11-24(26)29-21(17-25-27(37-2)13-14-28(38-3)30(25)33-29)18-34(19-23-10-7-15-39-23)31(35)20-8-6-9-22(32)16-20/h4-6,8-9,11-14,16-17,23H,7,10,15,18-19H2,1-3H3
• InChIKey: OLFAXHZHQBIIBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.2746587
• LogD (pH = 7.4): 5.2747183
• Log P: 5.2747188
• Molar Refractivity: 146.0886 cm^3
• Polarizability: 58.53566 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: 5.45
• LOG S: -6.15
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 6