8-(2-ethoxypyridin-3-yl)quinoline

• ChemBase ID: 767248
• Molecular Formular: C16H14N2O
• Molecular Mass: 250.29516
• Monoisotopic Mass: 250.11061308
• SMILES: c1(c2c(nccc2)OCC)c2ncccc2ccc1
• Canonical SMILES: CCOc1ncccc1c1cccc2c1nccc2
• InChI: InChI=1S/C16H14N2O/c1-2-19-16-14(9-5-11-18-16)13-8-3-6-12-7-4-10-17-15(12)13/h3-11H,2H2,1H3
• InChIKey: RNKGTPIBAQSMIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3449783
• LogD (pH = 7.4): 3.3539321
• Log P: 3.3540475
• Molar Refractivity: 74.4839 cm^3
• Polarizability: 31.50984 Å^3
• Polar Surface Area: 35.01 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: 2.67
• LOG S: -3.31
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3