6-(2,5-dimethoxyphenyl)-2-methylquinoline

• ChemBase ID: 558298
• Molecular Formular: C18H17NO2
• Molecular Mass: 279.33308
• Monoisotopic Mass: 279.12592879
• SMILES: c1(c2cc3c(nc(cc3)C)cc2)c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1c1ccc2c(c1)ccc(n2)C)OC
• InChI: InChI=1S/C18H17NO2/c1-12-4-5-14-10-13(6-8-17(14)19-12)16-11-15(20-2)7-9-18(16)21-3/h4-11H,1-3H3
• InChIKey: LEXQVBCLJOIEDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,5-dimethoxyphenyl)-2-methylquinoline
• IUPAC Traditional name: 6-(2,5-dimethoxyphenyl)-2-methylquinoline
• Synonyms: 6-(2,5-dimethoxyphenyl)-2-methylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4675806
• LogD (pH = 7.4): 3.5922976
• Log P: 3.5941534
• Molar Refractivity: 82.6334 cm^3
• Polarizability: 34.817677 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.86
• LOG S: -4.54
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 3