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

• ChemBase ID: 329927
• Molecular Formular: C16H18FN3O2
• Molecular Mass: 303.3314232
• Monoisotopic Mass: 303.13830505
• SMILES: C(=O)(N1CC=C(CC1)C)Nc1c2NC(=O)CCc2cc(c1)F
• Canonical SMILES: O=C1CCc2c(N1)c(cc(c2)F)NC(=O)N1CCC(=CC1)C
• InChI: InChI=1S/C16H18FN3O2/c1-10-4-6-20(7-5-10)16(22)18-13-9-12(17)8-11-2-3-14(21)19-15(11)13/h4,8-9H,2-3,5-7H2,1H3,(H,18,22)(H,19,21)
• InChIKey: BEROIFJOOHHHGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-fluoro-2-oxo-1,2,3,4-tetrahydroquinolin-8-yl)-4-methyl-1,2,3,6-tetrahydropyridine-1-carboxamide
• IUPAC Traditional name: N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
• Synonyms: N-(6-fluoro-2-oxo-1,2,3,4-tetrahydroquinolin-8-yl)-4-methyl-3,6-dihydropyridine-1(2H)-carboxamide

CALCULATED PROPERTIES

JChem

• Polarizability: 30.279594 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 11.850549
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8985507
• LogD (pH = 7.4): 1.8985363
• Log P: 1.898551
• Molar Refractivity: 85.122 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 1
• H Acceptors: 2
• H Donor: 2
• Log P: 2.47
• LOG S: -3.52