2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]acetamide

• ChemBase ID: 713933
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: c12n(c(cn1)CC(=O)NCCCN1c3c(CCC1)cccc3)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NCCCN1CCCc2c1cccc2
• InChI: InChI=1S/C22H26N4O/c1-17-7-4-14-26-19(16-24-22(17)26)15-21(27)23-11-6-13-25-12-5-9-18-8-2-3-10-20(18)25/h2-4,7-8,10,14,16H,5-6,9,11-13,15H2,1H3,(H,23,27)
• InChIKey: ODPLLGFNSZJMQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]acetamide
• IUPAC Traditional name: N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.824433
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.616018
• LogD (pH = 7.4): 2.6451316
• Log P: 2.7016354
• Molar Refractivity: 110.1752 cm^3
• Polarizability: 40.919388 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.94
• LOG S: -4.35
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6