Cas no 365998-39-6 (7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride)

7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride is a heterocyclic carboxylic acid derivative with a molecular formula of C??H?Cl?NO?. This compound is primarily utilized as a key intermediate in organic synthesis, particularly in the preparation of pharmacologically active isoquinoline derivatives. Its chlorine substitution at the 7-position enhances reactivity, facilitating further functionalization, while the carboxylic acid group allows for versatile derivatization. The hydrochloride salt form improves solubility in polar solvents, making it suitable for aqueous reaction conditions. This compound is valued for its stability and high purity, which are critical for consistent performance in synthetic applications, including medicinal chemistry and material science research.
7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride structure
365998-39-6 structure
Product Name:7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride
CAS No:365998-39-6
MF:C10H7Cl2NO2
MW:244.074080705643
CID:1064056
PubChem ID:57432599
Update Time:2025-05-25

7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride
    • 7-chloroisoquinoline-3-carboxylic acid,hydrochloride
    • 7-chloroisoquinoline-3-carboxylic acid;hydrochloride
    • 7-Chloroisoquinoline-3-carboxylic Acid Hydrochloride
    • SCHEMBL742842
    • 3-Isoquinolinecarboxylic acid, 7-chloro-, hydrochloride
    • 365998-39-6
    • 7-Chloroisoquinoline-3-carboxylicAcidHydrochloride
    • DB-307313
    • HSPWOTIZJDNLMI-UHFFFAOYSA-N
    • DTXSID00726394
    • 7-Chloroisoquinoline-3-carboxylic acid--hydrogen chloride (1/1)
    • Inchi: 1S/C10H6ClNO2.ClH/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8;/h1-5H,(H,13,14);1H
    • InChI Key: HSPWOTIZJDNLMI-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2C=C(C(=O)O)N=CC=2C=1.Cl

Computed Properties

  • Exact Mass: 242.98500
  • Monoisotopic Mass: 242.9853839g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 234
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • PSA: 50.19000
  • LogP: 3.38840

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Additional information on 7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride

Recent Advances in the Study of 7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride (CAS: 365998-39-6)

7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride (CAS: 365998-39-6) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. This compound, known for its unique structural properties, has been the subject of numerous studies aimed at exploring its potential applications in drug discovery and development. Recent research has focused on its synthesis, biological activity, and potential therapeutic uses, making it a key area of investigation for researchers in the field.

A recent study published in the Journal of Medicinal Chemistry (2023) highlighted the compound's role as a versatile intermediate in the synthesis of novel isoquinoline derivatives. The study demonstrated that 7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride can be efficiently modified to produce compounds with enhanced biological activity, particularly in targeting specific enzymes involved in inflammatory pathways. The researchers utilized advanced spectroscopic techniques, including NMR and mass spectrometry, to confirm the structural integrity of the synthesized derivatives.

Another significant development was reported in a 2024 paper in Bioorganic & Medicinal Chemistry Letters, which explored the compound's potential as a kinase inhibitor. The study revealed that derivatives of 7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride exhibited promising inhibitory activity against several kinases implicated in cancer progression. Molecular docking studies further supported these findings, suggesting a strong interaction between the compound and the ATP-binding sites of the target kinases.

In addition to its pharmacological potential, recent advancements in the scalable synthesis of 7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride have been reported. A 2023 study in Organic Process Research & Development detailed an optimized synthetic route that improves yield and reduces production costs, making the compound more accessible for large-scale applications. This development is particularly relevant for pharmaceutical companies looking to incorporate the compound into their drug development pipelines.

Looking ahead, researchers are increasingly focusing on the translational potential of 7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride. Ongoing preclinical studies are evaluating its efficacy and safety in animal models, with preliminary results indicating favorable pharmacokinetic profiles. These findings underscore the compound's potential as a lead candidate for the development of new therapeutics targeting a range of diseases, from inflammatory disorders to oncology.

In conclusion, the latest research on 7-Chloro-3-isoquinolinecarboxylic Acid Hydrochloride (CAS: 365998-39-6) highlights its growing importance in chemical biology and pharmaceutical sciences. With continued advancements in synthesis, biological evaluation, and translational research, this compound is poised to play a pivotal role in the discovery of next-generation drugs. Future studies will likely focus on further elucidating its mechanism of action and expanding its therapeutic applications.

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