CAS 929974-87-8

Ethyl 2-(cyanomethyl)-4-methyl-3-quinolinecarboxylate

Description:

Ethyl 2-(cyanomethyl)-4-methyl-3-quinolinecarboxylate, identified by its CAS number 929974-87-8, is a chemical compound that belongs to the class of quinoline derivatives. This substance typically exhibits a complex structure characterized by a quinoline ring, which is a bicyclic aromatic compound known for its diverse biological activities. The presence of the ethyl ester functional group contributes to its solubility in organic solvents, making it suitable for various applications in organic synthesis and medicinal chemistry. The cyanomethyl group introduces a nitrile functionality, which can enhance the compound's reactivity and potential for further chemical modifications. Additionally, the methyl group at the 4-position of the quinoline ring may influence its electronic properties and steric hindrance, affecting its interactions with biological targets. Overall, this compound's unique structural features suggest potential utility in pharmaceutical research, particularly in the development of new therapeutic agents. However, specific physical and chemical properties such as melting point, boiling point, and solubility would require empirical determination or literature reference for precise characterization.

Formula: C₁₅H₁₄N₂O₂

InChI: InChI=1S/C15H14N2O2/c1-3-19-15(18)14-10(2)11-6-4-5-7-12(11)17-13(14)8-9-16/h4-7H,3,8H2,1-2H3

InChI key: InChIKey=NWEQJKBEJLDPPZ-UHFFFAOYSA-N

SMILES: C(C#N)C=1C(C(OCC)=O)=C(C)C2=C(N1)C=CC=C2

Synonyms:

• 3-Quinolinecarboxylic acid, 2-(cyanomethyl)-4-methyl-, ethyl ester
• Ethyl 2-(cyanomethyl)-4-methyl-3-quinolinecarboxylate