Cas no 774586-89-9 (4-Quinolinecarboxylicacid, 2,6-dimethyl-, methyl ester)

4-Quinolinecarboxylic acid, 2,6-dimethyl-, methyl ester is a quinoline derivative characterized by its methyl ester functional group and dimethyl substitution at the 2,6-positions. This compound is of interest in synthetic organic chemistry due to its potential as an intermediate in the preparation of pharmacologically active molecules or functional materials. The methyl ester group enhances solubility in organic solvents, facilitating further chemical modifications. The dimethyl substitution may influence steric and electronic properties, impacting reactivity and selectivity in subsequent reactions. Its well-defined structure makes it suitable for applications in medicinal chemistry, catalysis, or material science research. Proper handling and storage under inert conditions are recommended to maintain stability.
4-Quinolinecarboxylicacid, 2,6-dimethyl-, methyl ester structure
774586-89-9 structure
Product Name:4-Quinolinecarboxylicacid, 2,6-dimethyl-, methyl ester
CAS No:774586-89-9
MF:C13H13NO2
MW:215.247823476791
CID:552513
PubChem ID:17255628
Update Time:2025-05-27

4-Quinolinecarboxylicacid, 2,6-dimethyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Quinolinecarboxylicacid, 2,6-dimethyl-, methyl ester
    • 4-Quinolinecarboxylicacid,2,6-dimethyl-,methylester(9CI)
    • AKOS003352543
    • 2,6-Dimethylquinoline-4-carboxylic acid methyl ester
    • CS-0364988
    • 774586-89-9
    • methyl 2,6-dimethylquinoline-4-carboxylate
    • Inchi： 1S/C13H13NO2/c1-8-4-5-12-10(6-8)11(13(15)16-3)7-9(2)14-12/h4-7H,1-3H3
    • InChI Key： BDOORBRWEMYQFI-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=C(C)N=C2C=CC(C)=CC2=1)=O

Computed Properties

  • Exact Mass: 215.09500
  • Monoisotopic Mass: 215.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 267
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • PSA: 39.19000
  • LogP: 2.63820

4-Quinolinecarboxylicacid, 2,6-dimethyl-, methyl ester Pricemore >>

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Methyl 2,6-dimethylquinoline-4-carboxylate
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