N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

• ChemBase ID: 409575
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: c1(c(=O)[nH]c2c(c1)CCCC2)C(=O)NCc1n2c(nc1)c(ccc2)C
• Canonical SMILES: O=C(c1cc2CCCCc2[nH]c1=O)NCc1cnc2n1cccc2C
• InChI: InChI=1S/C19H20N4O2/c1-12-5-4-8-23-14(10-20-17(12)23)11-21-18(24)15-9-13-6-2-3-7-16(13)22-19(15)25/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,21,24)(H,22,25)
• InChIKey: GUDVWDXLLSUCHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
• IUPAC Traditional name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• Synonyms: N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.963571
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.15116066
• LogD (pH = 7.4): 0.86965925
• Log P: 0.91383684
• Molar Refractivity: 97.6721 cm^3
• Polarizability: 35.78624 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.83
• LOG S: -3.22
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 3