structure of quinolin-6-yl 2,2,2-trifluoroacetate

quinolin-6-yl 2,2,2-trifluoroacetate

CAS No.: 1000775-18-7
M. Wt: 241.16600
M. Fa: C11H6F3NO2
InChI Key: -

Names and Identifiers of quinolin-6-yl 2,2,2-trifluoroacetate

CAS Number

1000775-18-7

IUPAC Name

quinolin-6-yl 2,2,2-tris(fluoranyl)ethanoate

Canonical SMILES

C1=CC2=C(C=CC(=C2)OC(=O)C(F)(F)F)N=C1

Physical and chemical properties of quinolin-6-yl 2,2,2-trifluoroacetate

Exact Mass

241.03500

LogP

2.70250

Molecular Formula

C11H6F3NO2

Molecular Weight

241.16600

PSA

39.19000

Applications of quinolin-6-yl 2,2,2-trifluoroacetate

Quinolin-6-yl 2,2,2-trifluoroacetate finds applications in:

  • Pharmaceutical Development: Due to its potential biological activities, it serves as a lead compound for developing new drugs targeting various diseases.
  • Material Science: Its unique electronic properties make it useful in designing advanced materials, including organic semiconductors.
  • Chemical Probes: It can act as a chemical probe in biological studies to elucidate mechanisms of action for quinoline-based drugs.

Interaction Studies of quinolin-6-yl 2,2,2-trifluoroacetate

Interaction studies involving quinolin-6-yl 2,2,2-trifluoroacetate often focus on its binding affinities with specific biological targets such as proteins or enzymes. These studies utilize techniques like:

  • Molecular Docking: To predict how the compound interacts with target proteins.
  • In Vitro Assays: To evaluate its biological activity against pathogens or cancer cell lines.
  • Spectroscopic Methods: Such as nuclear magnetic resonance and mass spectrometry to analyze binding interactions.

These studies provide insights into its mechanism of action and therapeutic potential.

Biological Activity of quinolin-6-yl 2,2,2-trifluoroacetate

Quinoline derivatives are known for their diverse biological activities, including antimicrobial, anti-inflammatory, and anticancer properties. Specific studies have shown that compounds containing the quinoline structure exhibit inhibitory effects on various enzymes and cellular pathways associated with cancer progression. The trifluoroacetate group may enhance these activities by improving bioavailability or modulating pharmacokinetics.