N-(8-chloroquinolin-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide

• ChemBase ID: 336474
• Molecular Formular: C19H19ClN4O2
• Molecular Mass: 370.83276
• Monoisotopic Mass: 370.11965355
• SMILES: C(=O)(N1C(c2noc(c2)C)CCCC1)Nc1c2c(nccc2)c(cc1)Cl
• Canonical SMILES: O=C(N1CCCCC1c1noc(c1)C)Nc1ccc(c2c1cccn2)Cl
• InChI: InChI=1S/C19H19ClN4O2/c1-12-11-16(23-26-12)17-6-2-3-10-24(17)19(25)22-15-8-7-14(20)18-13(15)5-4-9-21-18/h4-5,7-9,11,17H,2-3,6,10H2,1H3,(H,22,25)
• InChIKey: JYQWLHHZUWVAEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(8-chloroquinolin-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(8-chloroquinolin-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
• Synonyms: N-(8-chloroquinolin-5-yl)-2-(5-methylisoxazol-3-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.605476
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5182865
• LogD (pH = 7.4): 3.5188267
• Log P: 3.5188363
• Molar Refractivity: 100.6866 cm^3
• Polarizability: 38.82765 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.98
• LOG S: -3.6
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 2