N-[(2-ethoxypyridin-3-yl)methyl]-3-(3-hydroxyquinoxalin-2-yl)propanamide

• ChemBase ID: 576424
• Molecular Formular: C19H20N4O3
• Molecular Mass: 352.3871
• Monoisotopic Mass: 352.15354052
• SMILES: n1c(c(nc2c1cccc2)CCC(=O)NCc1c(nccc1)OCC)O
• Canonical SMILES: CCOc1ncccc1CNC(=O)CCc1nc2ccccc2nc1O
• InChI: InChI=1S/C19H20N4O3/c1-2-26-19-13(6-5-11-20-19)12-21-17(24)10-9-16-18(25)23-15-8-4-3-7-14(15)22-16/h3-8,11H,2,9-10,12H2,1H3,(H,21,24)(H,23,25)
• InChIKey: UHTQUZCJMCOFOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethoxypyridin-3-yl)methyl]-3-(3-hydroxyquinoxalin-2-yl)propanamide
• IUPAC Traditional name: N-[(2-ethoxypyridin-3-yl)methyl]-3-(3-hydroxyquinoxalin-2-yl)propanamide
• Synonyms: N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-2-quinoxalinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.039218
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.262706
• LogD (pH = 7.4): 2.2632256
• Log P: 2.263332
• Molar Refractivity: 95.9295 cm^3
• Polarizability: 38.289066 Å^3
• Polar Surface Area: 97.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 2.18
• LOG S: -3.63
• Polar Surface Area: 97.23 Å^2
• Rotatable Bonds: 7