4-[3-(1-ethyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2-methoxyquinoline

• ChemBase ID: 540637
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: C(=O)(c1c2c(nc(c1)OC)cccc2)N1CC(c2n(ccn2)CC)CCC1
• Canonical SMILES: COc1nc2ccccc2c(c1)C(=O)N1CCCC(C1)c1nccn1CC
• InChI: InChI=1S/C21H24N4O2/c1-3-24-12-10-22-20(24)15-7-6-11-25(14-15)21(26)17-13-19(27-2)23-18-9-5-4-8-16(17)18/h4-5,8-10,12-13,15H,3,6-7,11,14H2,1-2H3
• InChIKey: NAFHWTAWLGQBKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(1-ethyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2-methoxyquinoline
• IUPAC Traditional name: 4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-2-methoxyquinoline
• Synonyms: 4-{[3-(1-ethyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-2-methoxyquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.207541
• LogD (pH = 7.4): 2.847316
• Log P: 2.8763676
• Molar Refractivity: 104.3108 cm^3
• Polarizability: 40.788292 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.37
• LOG S: -3.88
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 4