N-(6-fluoro-2-oxo-1,2,3,4-tetrahydroquinolin-8-yl)-3-(pyrimidin-4-yl)piperidine-1-carboxamide

• ChemBase ID: 508365
• Molecular Formular: C19H20FN5O2
• Molecular Mass: 369.3928032
• Monoisotopic Mass: 369.16010313
• SMILES: C(=O)(N1CC(c2ncncc2)CCC1)Nc1c2NC(=O)CCc2cc(c1)F
• Canonical SMILES: O=C1CCc2c(N1)c(cc(c2)F)NC(=O)N1CCCC(C1)c1ccncn1
• InChI: InChI=1S/C19H20FN5O2/c20-14-8-12-3-4-17(26)24-18(12)16(9-14)23-19(27)25-7-1-2-13(10-25)15-5-6-21-11-22-15/h5-6,8-9,11,13H,1-4,7,10H2,(H,23,27)(H,24,26)
• InChIKey: QHJBEIRFTDWZID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-fluoro-2-oxo-1,2,3,4-tetrahydroquinolin-8-yl)-3-(pyrimidin-4-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-3-(pyrimidin-4-yl)piperidine-1-carboxamide
• Synonyms: N-(6-fluoro-2-oxo-1,2,3,4-tetrahydroquinolin-8-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.867563
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6442802
• LogD (pH = 7.4): 1.6442928
• Log P: 1.6443073
• Molar Refractivity: 100.6334 cm^3
• Polarizability: 36.506233 Å^3
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.11
• LOG S: -2.84
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 2