N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide

• ChemBase ID: 816995
• Molecular Formular: C19H22N4O
• Molecular Mass: 322.40418
• Monoisotopic Mass: 322.17936134
• SMILES: c1(c2c(nc(c1)C)ccc(c2)C)C(=O)NCCn1c(ncc1)CC
• Canonical SMILES: CCc1nccn1CCNC(=O)c1cc(C)nc2c1cc(C)cc2
• InChI: InChI=1S/C19H22N4O/c1-4-18-20-7-9-23(18)10-8-21-19(24)16-12-14(3)22-17-6-5-13(2)11-15(16)17/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,21,24)
• InChIKey: HEUHEABBUBIFEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
• IUPAC Traditional name: N-[2-(2-ethylimidazol-1-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
• Synonyms: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2,6-dimethyl-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.202824
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5819181
• LogD (pH = 7.4): 2.3855407
• Log P: 2.580536
• Molar Refractivity: 94.5952 cm^3
• Polarizability: 37.013737 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.37
• LOG S: -3.58
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 5