ethyl 2-(quinolin-3-yl)pyridine-3-carboxylate

• ChemBase ID: 499362
• Molecular Formular: C17H14N2O2
• Molecular Mass: 278.30526
• Monoisotopic Mass: 278.1055277
• SMILES: c1(c(c2cc3c(nc2)cccc3)nccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cccnc1c1cnc2c(c1)cccc2
• InChI: InChI=1S/C17H14N2O2/c1-2-21-17(20)14-7-5-9-18-16(14)13-10-12-6-3-4-8-15(12)19-11-13/h3-11H,2H2,1H3
• InChIKey: AUNCBTKHXDGWPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(quinolin-3-yl)pyridine-3-carboxylate
• IUPAC Traditional name: ethyl 2-(quinolin-3-yl)pyridine-3-carboxylate
• Synonyms: ethyl 2-quinolin-3-ylnicotinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3011823
• LogD (pH = 7.4): 3.3065202
• Log P: 3.3065886
• Molar Refractivity: 79.3605 cm^3
• Polarizability: 33.339767 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.77
• LOG S: -3.6
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 4