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

• ChemBase ID: 633307
• Molecular Formular: C22H26N4
• Molecular Mass: 346.46864
• Monoisotopic Mass: 346.21574685
• SMILES: c1(n(ccn1)CC1CCC1)C1CN(c2nc3c(cc2)cccc3)CCC1
• Canonical SMILES: C1CC(C1)Cn1ccnc1C1CCCN(C1)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C22H26N4/c1-2-9-20-18(7-1)10-11-21(24-20)25-13-4-8-19(16-25)22-23-12-14-26(22)15-17-5-3-6-17/h1-2,7,9-12,14,17,19H,3-6,8,13,15-16H2
• InChIKey: QJBBEGKBWRXUHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3379266
• LogD (pH = 7.4): 4.5908923
• Log P: 4.712428
• Molar Refractivity: 105.1988 cm^3
• Polarizability: 41.3326 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.69
• LOG S: -4.02
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4