2-{1-[(4-hydroxy-5,8-dimethylquinolin-2-yl)methyl]piperidin-2-yl}acetamide

• ChemBase ID: 676301
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: c12c(c(cc(n1)CN1C(CC(=O)N)CCCC1)O)c(ccc2C)C
• Canonical SMILES: NC(=O)CC1CCCCN1Cc1cc(O)c2c(n1)c(C)ccc2C
• InChI: InChI=1S/C19H25N3O2/c1-12-6-7-13(2)19-18(12)16(23)9-14(21-19)11-22-8-4-3-5-15(22)10-17(20)24/h6-7,9,15H,3-5,8,10-11H2,1-2H3,(H2,20,24)(H,21,23)
• InChIKey: JNGQCGLRBSGEEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-[(4-hydroxy-5,8-dimethylquinolin-2-yl)methyl]piperidin-2-yl}acetamide
• IUPAC Traditional name: 2-{1-[(4-hydroxy-5,8-dimethylquinolin-2-yl)methyl]piperidin-2-yl}acetamide
• Synonyms: 2-{1-[(4-hydroxy-5,8-dimethylquinolin-2-yl)methyl]piperidin-2-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.38258
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.44209132
• LogD (pH = 7.4): 2.1594796
• Log P: 2.695233
• Molar Refractivity: 94.4815 cm^3
• Polarizability: 37.82039 Å^3
• Polar Surface Area: 79.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.4
• LOG S: -3.64
• Polar Surface Area: 79.45 Å^2
• Rotatable Bonds: 4