8-methoxy-2-(2-methoxypyridin-3-yl)quinoline

• ChemBase ID: 666930
• Molecular Formular: C16H14N2O2
• Molecular Mass: 266.29456
• Monoisotopic Mass: 266.1055277
• SMILES: n1c(c2c(nccc2)OC)ccc2c1c(OC)ccc2
• Canonical SMILES: COc1ncccc1c1ccc2c(n1)c(OC)ccc2
• InChI: InChI=1S/C16H14N2O2/c1-19-14-7-3-5-11-8-9-13(18-15(11)14)12-6-4-10-17-16(12)20-2/h3-10H,1-2H3
• InChIKey: HFRREUGOQSSUMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-(2-methoxypyridin-3-yl)quinoline
• IUPAC Traditional name: 8-methoxy-2-(2-methoxypyridin-3-yl)quinoline
• Synonyms: 8-methoxy-2-(2-methoxypyridin-3-yl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2251117
• LogD (pH = 7.4): 3.2254148
• Log P: 3.2254188
• Molar Refractivity: 75.8265 cm^3
• Polarizability: 32.120705 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.27
• LOG S: -3.93
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3