2-methyl-N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 626401
• Molecular Formular: C21H24N4O
• Molecular Mass: 348.44146
• Monoisotopic Mass: 348.19501141
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NCCCN1c2c(CCC1)cccc2
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)NCCCN1CCCc2c1cccc2
• InChI: InChI=1S/C21H24N4O/c1-16-14-25-15-18(9-10-20(25)23-16)21(26)22-11-5-13-24-12-4-7-17-6-2-3-8-19(17)24/h2-3,6,8-10,14-15H,4-5,7,11-13H2,1H3,(H,22,26)
• InChIKey: AULUHQUIGCKXBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.278953
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4709489
• LogD (pH = 7.4): 2.393135
• Log P: 2.4194176
• Molar Refractivity: 105.7966 cm^3
• Polarizability: 38.86341 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.31
• LOG S: -4.57
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5