CAS 757192-73-7

1-(Chloromethyl)-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

Description:

1-(Chloromethyl)-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is a chemical compound characterized by its complex structure, which includes a triazole and quinazolinone moiety. This compound features a chloromethyl group, which can participate in nucleophilic substitution reactions, and a branched alkyl group (3-methylbutyl) that may influence its solubility and biological activity. The presence of the triazole ring contributes to its potential as a bioactive molecule, as triazoles are often found in pharmaceuticals due to their ability to interact with biological targets. The quinazolinone structure is known for its diverse pharmacological properties, including anti-cancer and anti-inflammatory activities. The compound's specific reactivity and interactions depend on its functional groups and overall molecular geometry. Its CAS number, 757192-73-7, allows for precise identification in chemical databases, facilitating research and application in medicinal chemistry and related fields. Overall, this compound represents a unique scaffold that may be explored for various therapeutic applications.

Formula: C₁₅H₁₇ClN₄O

InChI: InChI=1S/C15H17ClN4O/c1-10(2)7-8-19-14(21)11-5-3-4-6-12(11)20-13(9-16)17-18-15(19)20/h3-6,10H,7-9H2,1-2H3

InChI key: InChIKey=JLDUIAOAHGOFFT-UHFFFAOYSA-N

SMILES: C(Cl)C=1N2C(N(CCC(C)C)C(=O)C=3C2=CC=CC3)=NN1

Synonyms:

• 1-(Chloromethyl)-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
• [1,2,4]Triazolo[4,3-a]quinazolin-5(4H)-one, 1-(chloromethyl)-4-(3-methylbutyl)-
• 1-(Chloromethyl)-4-(3-methylbutyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one