8-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]quinoline-2-carboxamide

• ChemBase ID: 520832
• Molecular Formular: C15H15FN4O2
• Molecular Mass: 302.3036032
• Monoisotopic Mass: 302.11790396
• SMILES: n1c2c(F)cccc2ccc1C(=O)NCCN1C(=O)NCC1
• Canonical SMILES: O=C1NCCN1CCNC(=O)c1ccc2c(n1)c(F)ccc2
• InChI: InChI=1S/C15H15FN4O2/c16-11-3-1-2-10-4-5-12(19-13(10)11)14(21)17-6-8-20-9-7-18-15(20)22/h1-5H,6-9H2,(H,17,21)(H,18,22)
• InChIKey: DPRASEJVMPOTAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]quinoline-2-carboxamide
• IUPAC Traditional name: 8-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]quinoline-2-carboxamide
• Synonyms: 8-fluoro-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-2-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.27197
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6979135
• LogD (pH = 7.4): 0.69791305
• Log P: 0.6979135
• Molar Refractivity: 77.6935 cm^3
• Polarizability: 30.301693 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.92
• LOG S: -2.19
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 4