7-hydroxy-6-methyl-4-(piperidin-4-yl)-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 324622
• Molecular Formular: C15H20N2O2
• Molecular Mass: 260.3315
• Monoisotopic Mass: 260.15247789
• SMILES: c12c(C(CC(=O)N1)C1CCNCC1)cc(c(c2)O)C
• Canonical SMILES: O=C1CC(C2CCNCC2)c2c(N1)cc(c(c2)C)O
• InChI: InChI=1S/C15H20N2O2/c1-9-6-12-11(10-2-4-16-5-3-10)7-15(19)17-13(12)8-14(9)18/h6,8,10-11,16,18H,2-5,7H2,1H3,(H,17,19)
• InChIKey: ZLDLUROMEOCQRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydroxy-6-methyl-4-(piperidin-4-yl)-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 7-hydroxy-6-methyl-4-(piperidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 7-hydroxy-6-methyl-4-piperidin-4-yl-3,4-dihydroquinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.477552
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.6220187
• LogD (pH = 7.4): -1.0636256
• Log P: 0.662935
• Molar Refractivity: 76.1364 cm^3
• Polarizability: 28.691017 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.21
• LOG S: -2.13
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 1