structure of 7-chloro-5-nitroisoquinoline

7-chloro-5-nitroisoquinoline

CAS No.: 1335050-24-2
M. Wt: 208.6000061
M. Fa: C9H5ClN2O2
InChI Key: CFIWPCCLFBNWCW-UHFFFAOYSA-N

Names and Identifiers of 7-chloro-5-nitroisoquinoline

CAS Number

1335050-24-2

MDL Number

MFCD22097483

IUPAC Name

7-chloro-5-nitroisoquinoline

InChI

InChI=1S/C9H5ClN2O2/c10-7-3-6-5-11-2-1-8(6)9(4-7)12(13)14/h1-5H

InChIKey

CFIWPCCLFBNWCW-UHFFFAOYSA-N

Canonical SMILES

O=[N+]([O-])C1=CC(Cl)=CC2=CN=CC=C21

UNSPSC Code

12352100

Physical and chemical properties of 7-chloro-5-nitroisoquinoline

H Bond Acceptors

3

H Bond Donors

0

LogP

2.28907901133333

Molecular Formula

C9H5ClN2O2

Molecular Weight

208.6000061

Safety Information of 7-chloro-5-nitroisoquinoline

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 7-chloro-5-nitroisoquinoline

7-Chloro-5-nitroisoquinoline finds applications primarily in medicinal chemistry and materials science. Its unique properties make it suitable for:

  • Drug Development: As a lead compound for developing new antimicrobial or anticancer drugs.
  • Chemical Probes: Utilized in biological studies to probe cellular mechanisms due to its ability to interact with various biomolecules.

Interaction Studies of 7-chloro-5-nitroisoquinoline

Interaction studies involving 7-chloro-5-nitroisoquinoline have focused on its binding affinity with various biological targets, including enzymes and receptors. These studies often utilize techniques such as:

  • Molecular Docking: To predict how the compound interacts with specific protein targets.
  • In Vitro Assays: To evaluate its biological effects on cell lines or microbial cultures.

Such studies are crucial for understanding the mechanism of action and optimizing the compound's efficacy.

Biological Activity of 7-chloro-5-nitroisoquinoline

The biological activity of 7-chloro-5-nitroisoquinoline has been explored in various studies, highlighting its potential as an antimicrobial and anticancer agent. The presence of both the chlorine and nitro groups is believed to contribute to its biological efficacy by influencing its interaction with biological targets.

Notable Activities:
  • Antimicrobial Properties: Exhibits activity against certain bacterial strains.
  • Anticancer Potential: Studies suggest that it may inhibit cancer cell proliferation through mechanisms that involve apoptosis induction and cell cycle arrest.