6-methyl-2-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}methyl)quinolin-4-ol

• ChemBase ID: 625309
• Molecular Formular: C22H28N4O
• Molecular Mass: 364.48392
• Monoisotopic Mass: 364.22631154
• SMILES: c12c(nc(cc1O)CN1CCC(CCn3c(ncc3)C)CC1)ccc(c2)C
• Canonical SMILES: Cc1ccc2c(c1)c(O)cc(n2)CN1CCC(CC1)CCn1ccnc1C
• InChI: InChI=1S/C22H28N4O/c1-16-3-4-21-20(13-16)22(27)14-19(24-21)15-25-9-5-18(6-10-25)7-11-26-12-8-23-17(26)2/h3-4,8,12-14,18H,5-7,9-11,15H2,1-2H3,(H,24,27)
• InChIKey: FQVKMIRAYPVCGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}methyl)quinolin-4-ol
• IUPAC Traditional name: 6-methyl-2-({4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl}methyl)quinolin-4-ol
• Synonyms: 6-methyl-2-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}methyl)quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.278169
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.14965113
• LogD (pH = 7.4): 2.573256
• Log P: 3.2289941
• Molar Refractivity: 108.3311 cm^3
• Polarizability: 42.961742 Å^3
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.05
• LOG S: -3.45
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 5