N3-{2-[(2-methylquinolin-8-yl)oxy]ethyl}piperidine-1,3-dicarboxamide

• ChemBase ID: 583762
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: N1(C(=O)N)CC(C(=O)NCCOc2c3nc(ccc3ccc2)C)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NCCOc1cccc2c1nc(C)cc2
• InChI: InChI=1S/C19H24N4O3/c1-13-7-8-14-4-2-6-16(17(14)22-13)26-11-9-21-18(24)15-5-3-10-23(12-15)19(20)25/h2,4,6-8,15H,3,5,9-12H2,1H3,(H2,20,25)(H,21,24)
• InChIKey: UXBKBWVPPRCRFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-{2-[(2-methylquinolin-8-yl)oxy]ethyl}piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-{2-[(2-methylquinolin-8-yl)oxy]ethyl}piperidine-1,3-dicarboxamide
• Synonyms: N~3~-{2-[(2-methyl-8-quinolinyl)oxy]ethyl}-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.233246
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6584422
• LogD (pH = 7.4): 0.6622949
• Log P: 0.6623443
• Molar Refractivity: 96.9478 cm^3
• Polarizability: 38.783054 Å^3
• Polar Surface Area: 97.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.16
• LOG S: -2.97
• Polar Surface Area: 97.55 Å^2
• Rotatable Bonds: 5