2,6-dimethyl-N-(2-oxopiperidin-3-yl)quinoline-4-carboxamide

• ChemBase ID: 729789
• Molecular Formular: C17H19N3O2
• Molecular Mass: 297.35166
• Monoisotopic Mass: 297.14772686
• SMILES: C(=O)(c1c2c(nc(c1)C)ccc(c2)C)NC1C(=O)NCCC1
• Canonical SMILES: Cc1cc(C(=O)NC2CCCNC2=O)c2c(n1)ccc(c2)C
• InChI: InChI=1S/C17H19N3O2/c1-10-5-6-14-12(8-10)13(9-11(2)19-14)16(21)20-15-4-3-7-18-17(15)22/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,18,22)(H,20,21)
• InChIKey: FODQWYJZOJQRJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-N-(2-oxopiperidin-3-yl)quinoline-4-carboxamide
• IUPAC Traditional name: 2,6-dimethyl-N-(2-oxopiperidin-3-yl)quinoline-4-carboxamide
• Synonyms: 2,6-dimethyl-N-(2-oxo-3-piperidinyl)-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.0998955
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3570989
• LogD (pH = 7.4): 1.3624107
• Log P: 1.3624789
• Molar Refractivity: 83.6769 cm^3
• Polarizability: 32.990746 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.34
• LOG S: -2.97
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 2