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

• ChemBase ID: 721451
• Molecular Formular: C16H22N2O3
• Molecular Mass: 290.35748
• Monoisotopic Mass: 290.16304257
• SMILES: c12c(C(CC(=O)N1)C1CCNCC1)cc(c(c2)OC)OC
• Canonical SMILES: COc1cc2C(CC(=O)Nc2cc1OC)C1CCNCC1
• InChI: InChI=1S/C16H22N2O3/c1-20-14-7-12-11(10-3-5-17-6-4-10)8-16(19)18-13(12)9-15(14)21-2/h7,9-11,17H,3-6,8H2,1-2H3,(H,18,19)
• InChIKey: NWKZRCXERWXXKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.934726
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.1516066
• LogD (pH = 7.4): -1.6941453
• Log P: 1.0799389
• Molar Refractivity: 82.0407 cm^3
• Polarizability: 31.363733 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.18
• LOG S: -2.32
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 3