N-(6-fluoro-2-oxo-1,2,3,4-tetrahydroquinolin-8-yl)-2-(morpholin-3-yl)acetamide

• ChemBase ID: 714633
• Molecular Formular: C15H18FN3O3
• Molecular Mass: 307.3201232
• Monoisotopic Mass: 307.13321967
• SMILES: c12c(NC(=O)CC3NCCOC3)cc(cc2CCC(=O)N1)F
• Canonical SMILES: O=C(Nc1cc(F)cc2c1NC(=O)CC2)CC1COCCN1
• InChI: InChI=1S/C15H18FN3O3/c16-10-5-9-1-2-13(20)19-15(9)12(6-10)18-14(21)7-11-8-22-4-3-17-11/h5-6,11,17H,1-4,7-8H2,(H,18,21)(H,19,20)
• InChIKey: PZAFTIFMCXWYSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-fluoro-2-oxo-1,2,3,4-tetrahydroquinolin-8-yl)-2-(morpholin-3-yl)acetamide
• IUPAC Traditional name: N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-2-(morpholin-3-yl)acetamide
• Synonyms: N-(6-fluoro-2-oxo-1,2,3,4-tetrahydro-8-quinolinyl)-2-(3-morpholinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.353347
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.8047099
• LogD (pH = 7.4): -0.0882293
• Log P: 0.48376107
• Molar Refractivity: 80.8437 cm^3
• Polarizability: 29.808609 Å^3
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.01
• LOG S: -2.74
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 3