8-chloro-2-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}quinoline

• ChemBase ID: 380664
• Molecular Formular: C22H25ClN4
• Molecular Mass: 380.9137
• Monoisotopic Mass: 380.1767745
• SMILES: c1(n(ccn1)CC1CCC1)C1CN(c2nc3c(Cl)cccc3cc2)CCC1
• Canonical SMILES: Clc1cccc2c1nc(cc2)N1CCCC(C1)c1nccn1CC1CCC1
• InChI: InChI=1S/C22H25ClN4/c23-19-8-2-6-17-9-10-20(25-21(17)19)26-12-3-7-18(15-26)22-24-11-13-27(22)14-16-4-1-5-16/h2,6,8-11,13,16,18H,1,3-5,7,12,14-15H2
• InChIKey: AXXVBUOLHJBYEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}quinoline
• IUPAC Traditional name: 8-chloro-2-{3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl}quinoline
• Synonyms: 8-chloro-2-{3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3692484
• LogD (pH = 7.4): 5.2046747
• Log P: 5.316473
• Molar Refractivity: 110.0036 cm^3
• Polarizability: 43.18043 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.93
• LOG S: -4.48
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4