(1-methyl-1H-imidazol-2-yl)({1-[(2,6,8-trimethylquinolin-4-yl)methyl]piperidin-4-yl})methanol

• ChemBase ID: 547383
• Molecular Formular: C23H30N4O
• Molecular Mass: 378.5105
• Monoisotopic Mass: 378.2419616
• SMILES: c1(n(ccn1)C)C(C1CCN(Cc2c3c(nc(c2)C)c(cc(c3)C)C)CC1)O
• Canonical SMILES: Cc1cc(C)c2c(c1)c(CN1CCC(CC1)C(c1nccn1C)O)cc(n2)C
• InChI: InChI=1S/C23H30N4O/c1-15-11-16(2)21-20(12-15)19(13-17(3)25-21)14-27-8-5-18(6-9-27)22(28)23-24-7-10-26(23)4/h7,10-13,18,22,28H,5-6,8-9,14H2,1-4H3
• InChIKey: REQFNAZIQZCDGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-imidazol-2-yl)({1-[(2,6,8-trimethylquinolin-4-yl)methyl]piperidin-4-yl})methanol
• IUPAC Traditional name: (1-methylimidazol-2-yl)({1-[(2,6,8-trimethylquinolin-4-yl)methyl]piperidin-4-yl})methanol
• Synonyms: (1-methyl-1H-imidazol-2-yl){1-[(2,6,8-trimethyl-4-quinolinyl)methyl]-4-piperidinyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.328725
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.3178717
• LogD (pH = 7.4): 1.581327
• Log P: 3.1239724
• Molar Refractivity: 113.2746 cm^3
• Polarizability: 44.739243 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: 5
• H Donor: 1
• Log P: 2.58
• LOG S: -4.62
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 4