4-[3-(1-ethyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2,6,8-trimethylquinoline

• ChemBase ID: 364837
• Molecular Formular: C23H28N4O
• Molecular Mass: 376.49462
• Monoisotopic Mass: 376.22631154
• SMILES: c1(C(=O)N2CC(c3n(ccn3)CC)CCC2)c2c(nc(c1)C)c(cc(c2)C)C
• Canonical SMILES: CCn1ccnc1C1CCCN(C1)C(=O)c1cc(C)nc2c1cc(C)cc2C
• InChI: InChI=1S/C23H28N4O/c1-5-26-10-8-24-22(26)18-7-6-9-27(14-18)23(28)20-13-17(4)25-21-16(3)11-15(2)12-19(20)21/h8,10-13,18H,5-7,9,14H2,1-4H3
• InChIKey: JVZZPHXQKYLWJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(1-ethyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2,6,8-trimethylquinoline
• IUPAC Traditional name: 4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-2,6,8-trimethylquinoline
• Synonyms: 4-{[3-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]carbonyl}-2,6,8-trimethylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9238932
• LogD (pH = 7.4): 3.5686784
• Log P: 3.5977943
• Molar Refractivity: 112.208 cm^3
• Polarizability: 43.575653 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.63
• LOG S: -4.19
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 3