2-methoxy-3-(4-methylpyridin-3-yl)quinoline

• ChemBase ID: 415844
• Molecular Formular: C16H14N2O
• Molecular Mass: 250.29516
• Monoisotopic Mass: 250.11061308
• SMILES: c1(c(nc2c(c1)cccc2)OC)c1c(ccnc1)C
• Canonical SMILES: COc1nc2ccccc2cc1c1cnccc1C
• InChI: InChI=1S/C16H14N2O/c1-11-7-8-17-10-14(11)13-9-12-5-3-4-6-15(12)18-16(13)19-2/h3-10H,1-2H3
• InChIKey: WXOJQEUQBYATRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-(4-methylpyridin-3-yl)quinoline
• IUPAC Traditional name: 2-methoxy-3-(4-methylpyridin-3-yl)quinoline
• Synonyms: 2-methoxy-3-(4-methylpyridin-3-yl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.312759
• LogD (pH = 7.4): 3.5072968
• Log P: 3.5106611
• Molar Refractivity: 74.7765 cm^3
• Polarizability: 31.418737 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.99
• LOG S: -3.58
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2