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

• ChemBase ID: 536873
• Molecular Formular: C15H12N2
• Molecular Mass: 220.26918
• Monoisotopic Mass: 220.10004839
• SMILES: c1(c2c(cncc2)C)cc2c(nc1)cccc2
• Canonical SMILES: Cc1cnccc1c1cnc2c(c1)cccc2
• InChI: InChI=1S/C15H12N2/c1-11-9-16-7-6-14(11)13-8-12-4-2-3-5-15(12)17-10-13/h2-10H,1H3
• InChIKey: ODYGXAIYCBEMBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.88484
• LogD (pH = 7.4): 3.0707548
• Log P: 3.0738747
• Molar Refractivity: 67.9998 cm^3
• Polarizability: 28.9868 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.73
• LOG S: -3.14
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1