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
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
