structure of 2-Chloro-3-ethynylquinoline

2-Chloro-3-ethynylquinoline

CAS No.: 1000782-65-9
M. Wt: 187.62500
M. Fa: C11H6ClN
InChI Key: IVPMJQRHVZSWCP-UHFFFAOYSA-N
Appearance: White To Off-White Solid

Names and Identifiers of 2-Chloro-3-ethynylquinoline

CAS Number

1000782-65-9

MDL Number

MFCD10699529

IUPAC Name

2-chloro-3-ethynylquinoline

InChI

InChI=1S/C11H6ClN/c1-2-8-7-9-5-3-4-6-10(9)13-11(8)12/h1,3-7H

InChIKey

IVPMJQRHVZSWCP-UHFFFAOYSA-N

Canonical SMILES

C#CC1=CC2=CC=CC=C2N=C1Cl

UNSPSC Code

12352100

Physical and chemical properties of 2-Chloro-3-ethynylquinoline

Exact Mass

187.01900

H Bond Acceptors

1

H Bond Donors

0

LogP

2.86950

Molecular Formula

C11H6ClN

Molecular Weight

187.62500

PSA

12.89000

Storage condition

2-8°C

Safety Information of 2-Chloro-3-ethynylquinoline

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 2-Chloro-3-ethynylquinoline

2-Chloro-3-ethynylquinoline has potential applications in various fields:

  • Pharmaceuticals: Due to its biological activity, this compound may serve as a lead structure for developing new antimicrobial or anticancer agents.
  • Material Science: Quinoline derivatives are explored for their optical properties and may find use in organic electronics or as fluorescent probes.
  • Synthetic Intermediates: It can act as an intermediate in synthesizing more complex heterocyclic compounds.

Interaction Studies of 2-Chloro-3-ethynylquinoline

Interaction studies involving 2-chloro-3-ethynylquinoline focus on its binding affinity with biological targets such as enzymes or receptors. These studies are crucial for understanding its mechanism of action and potential therapeutic effects. Investigations into its interactions with DNA or proteins could reveal insights into its anticancer properties or other biological activities.

Biological Activity of 2-Chloro-3-ethynylquinoline

Research has indicated that quinoline derivatives exhibit a range of biological activities, including:

  • Antimicrobial Properties: Several studies have reported the antimicrobial activity of quinoline derivatives against various bacterial strains, suggesting that 2-chloro-3-ethynylquinoline may possess similar properties.
  • Anticancer Activity: Quinoline compounds have been investigated for their potential anticancer effects, with some derivatives showing efficacy against cancer cell lines through mechanisms involving apoptosis and cell cycle arrest.
  • Antiviral Activity: Certain quinoline derivatives have demonstrated antiviral properties, indicating that 2-chloro-3-ethynylquinoline may also be explored for antiviral drug development.

Physical sample testing spectrum (NMR) of 2-Chloro-3-ethynylquinoline

Physical sample testing spectrum (NMR) of 2-Chloro-3-ethynylquinoline