CAS 860611-67-2

1,4,5,6,7,8-Hexahydro-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-3-quinolinecarbonitrile

Description:

1,4,5,6,7,8-Hexahydro-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-3-quinolinecarbonitrile, with the CAS number 860611-67-2, is a synthetic organic compound characterized by its complex bicyclic structure, which includes a quinoline moiety. This compound features multiple functional groups, including a carbonitrile and a ketone, contributing to its chemical reactivity and potential applications in various fields, such as pharmaceuticals or agrochemicals. The presence of multiple methyl groups enhances its lipophilicity, which may influence its biological activity and solubility properties. Additionally, the hexahydro structure indicates that it is a saturated derivative, which can affect its stability and interaction with biological systems. The compound's unique structure may also confer specific pharmacological properties, making it of interest for further research in medicinal chemistry. As with many synthetic compounds, safety and handling precautions should be observed, and its environmental impact should be assessed in any practical applications.

Formula: C₂₀H₂₂N₂O

InChI: InChI=1S/C20H22N2O/c1-12-5-7-14(8-6-12)18-15(11-21)13(2)22-16-9-20(3,4)10-17(23)19(16)18/h5-8,18,22H,9-10H2,1-4H3

InChI key: InChIKey=NNIPDAFVQDHEIJ-UHFFFAOYSA-N

SMILES: C(#N)C=1C(C2=C(NC1C)CC(C)(C)CC2=O)C3=CC=C(C)C=C3

Synonyms:

• 3-Quinolinecarbonitrile, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-
• 1,4,5,6,7,8-Hexahydro-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-3-quinolinecarbonitrile