2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}quinoline

• ChemBase ID: 505764
• Molecular Formular: C21H24N4
• Molecular Mass: 332.44206
• Monoisotopic Mass: 332.20009679
• SMILES: n1(c(ncc1)C1CCN(c2nc3c(cc2)cccc3)CC1)CC1CC1
• Canonical SMILES: c1ccc2c(c1)nc(cc2)N1CCC(CC1)c1nccn1CC1CC1
• InChI: InChI=1S/C21H24N4/c1-2-4-19-17(3-1)7-8-20(23-19)24-12-9-18(10-13-24)21-22-11-14-25(21)15-16-5-6-16/h1-4,7-8,11,14,16,18H,5-6,9-10,12-13,15H2
• InChIKey: ZCGJWGMRCRSYEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}quinoline
• IUPAC Traditional name: 2-{4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl}quinoline
• Synonyms: 2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7056515
• LogD (pH = 7.4): 3.9648407
• Log P: 4.1119523
• Molar Refractivity: 100.7518 cm^3
• Polarizability: 39.486668 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: 2.09
• LOG S: -3.41
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4