3-{imidazo[1,2-a]pyridin-2-yl}-N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)propanamide

• ChemBase ID: 398174
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: n12c(nc(c1)CCC(=O)NC1CC(=O)Nc3c1cccc3)cccc2
• Canonical SMILES: O=C(NC1CC(=O)Nc2c1cccc2)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C19H18N4O2/c24-18(9-8-13-12-23-10-4-3-7-17(23)20-13)22-16-11-19(25)21-15-6-2-1-5-14(15)16/h1-7,10,12,16H,8-9,11H2,(H,21,25)(H,22,24)
• InChIKey: HETVJLAWMKQBLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.42715
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.35342935
• LogD (pH = 7.4): 1.0654356
• Log P: 1.0928081
• Molar Refractivity: 95.4262 cm^3
• Polarizability: 35.602673 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.15
• LOG S: -2.62
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 4