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

• ChemBase ID: 613441
• Molecular Formular: C30H32N2O5S
• Molecular Mass: 532.65048
• Monoisotopic Mass: 532.20319313
• SMILES: n1c(c(cc2c1c(ccc2OC)OC)CN(C(=O)Cc1cscc1)CC1OCCC1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1nc2c(OC)ccc(c2cc1CN(C(=O)Cc1cscc1)CC1CCCO1)OC
• InChI: InChI=1S/C30H32N2O5S/c1-34-25-9-5-4-8-23(25)29-21(16-24-26(35-2)10-11-27(36-3)30(24)31-29)17-32(18-22-7-6-13-37-22)28(33)15-20-12-14-38-19-20/h4-5,8-12,14,16,19,22H,6-7,13,15,17-18H2,1-3H3
• InChIKey: LLXKTZGHYQIVJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.892564
• LogD (pH = 7.4): 4.8926234
• Log P: 4.8926244
• Molar Refractivity: 147.0294 cm^3
• Polarizability: 59.59845 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: 4.8
• LOG S: -5.8
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 7