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

• ChemBase ID: 824203
• Molecular Formular: C21H26N4O
• Molecular Mass: 350.45734
• Monoisotopic Mass: 350.21066147
• SMILES: n1(c(ncc1)C)CC1CCN(Cc2nc3c(c(c2)O)cc(cc3)C)CC1
• Canonical SMILES: Cc1ccc2c(c1)c(O)cc(n2)CN1CCC(CC1)Cn1ccnc1C
• InChI: InChI=1S/C21H26N4O/c1-15-3-4-20-19(11-15)21(26)12-18(23-20)14-24-8-5-17(6-9-24)13-25-10-7-22-16(25)2/h3-4,7,10-12,17H,5-6,8-9,13-14H2,1-2H3,(H,23,26)
• InChIKey: AEEBCSJLFWFGLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.277457
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.024949323
• LogD (pH = 7.4): 2.2609072
• Log P: 2.8623793
• Molar Refractivity: 103.6531 cm^3
• Polarizability: 41.115948 Å^3
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.86
• LOG S: -3.19
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 4