structure of Quinoxaline-2-carboxamide

Quinoxaline-2-carboxamide

CAS No.: 5182-90-1
M. Wt: 173.171
M. Fa: C9H7N3O
InChI Key: CGJMVNVWQHPASW-UHFFFAOYSA-N
Appearance: Red Solid

Names and Identifiers of Quinoxaline-2-carboxamide

CAS Number

5182-90-1

MDL Number

MFCD01684982

IUPAC Name

quinoxaline-2-carboxamide

InChI

InChI=1S/C9H7N3O/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8/h1-5H,(H2,10,13)

InChIKey

CGJMVNVWQHPASW-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C2C(=C1)N=CC(=N2)C(=O)N

UNSPSC Code

12352100

Physical and chemical properties of Quinoxaline-2-carboxamide

Acidity coefficient

13.93±0.30(Predicted)

Boiling Point

430.8±25.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

173.058914

Flash Point

214.3±23.2 °C

Index of Refraction

1.690

LogP

0.98

Melting Point

199-201 °C

Molecular Formula

C9H7N3O

Molecular Weight

173.171

PSA

68.87000

Storage condition

Sealed in dry,Room Temperature

Vapour Pressure

0.0±1.0 mmHg at 25°C

Safety Information of Quinoxaline-2-carboxamide

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of Quinoxaline-2-carboxamide

Quinoxaline-2-carboxamide and its derivatives find applications in various fields:

  • Medicinal Chemistry: As potential drugs for treating infections and cancers.
  • Agriculture: As agrochemicals due to their antimicrobial properties.
  • Material Science: In the development of organic semiconductors and sensors due to their electronic properties.

Interaction Studies of Quinoxaline-2-carboxamide

Interaction studies have demonstrated that quinoxaline-2-carboxamide can bind to DNA and proteins, influencing their structure and function. For instance, studies have shown that it forms stable complexes with platinum compounds, enhancing their cytotoxic activity against tumor cells . Additionally, its ability to interact with biomolecules makes it a valuable tool in drug design and development.

Biological Activity of Quinoxaline-2-carboxamide

Quinoxaline-2-carboxamide exhibits notable biological activities, including antimicrobial, antitumor, and antiparasitic properties. Research has shown that derivatives of quinoxaline-2-carboxamide can inhibit the growth of various cancer cell lines and demonstrate efficacy against Mycobacterium tuberculosis. The compound's mechanism of action often involves interference with DNA replication and repair processes, making it a candidate for developing new therapeutic agents.

Physical sample testing spectrum (NMR) of Quinoxaline-2-carboxamide

Physical sample testing spectrum (NMR) of Quinoxaline-2-carboxamide

Retrosynthesis analysis of Quinoxaline-2-carboxamide

  • Route#1

    Cas:54745-92-5
    Cas:5182-90-1
  • Route#2

    Cas:879-65-2
    Cas:5182-90-1
  • Route#3

    Cas:1865-11-8
    Cas:5182-90-1