CAS 866137-99-7

N-[(4-Chlorophenyl)methyl]-2-(methylthio)-4-quinazolinamine

Description:

N-[(4-Chlorophenyl)methyl]-2-(methylthio)-4-quinazolinamine, with the CAS number 866137-99-7, is a chemical compound that belongs to the quinazoline class of compounds, which are known for their diverse biological activities. This substance features a quinazolinamine core, which is characterized by a fused bicyclic structure containing both benzene and pyrimidine rings. The presence of a 4-chlorophenyl group and a methylthio group contributes to its unique chemical properties and potential reactivity. Typically, compounds of this nature may exhibit pharmacological activities, including anti-cancer or anti-inflammatory effects, making them of interest in medicinal chemistry. The chlorophenyl moiety can enhance lipophilicity, potentially influencing the compound's bioavailability and interaction with biological targets. Additionally, the methylthio group may participate in various chemical reactions, further expanding the compound's utility in synthetic applications. Overall, this compound exemplifies the complexity and potential of heterocyclic chemistry in drug development and other applications.

Formula: C₁₆H₁₄ClN₃S

InChI: InChI=1S/C16H14ClN3S/c1-21-16-19-14-5-3-2-4-13(14)15(20-16)18-10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,18,19,20)

InChI key: InChIKey=YHZNGUIEXGAPOJ-UHFFFAOYSA-N

SMILES: N(CC1=CC=C(Cl)C=C1)C=2C3=C(N=C(SC)N2)C=CC=C3

Synonyms:

• N-[(4-Chlorophenyl)methyl]-2-(methylthio)-4-quinazolinamine
• 4-Quinazolinamine, N-[(4-chlorophenyl)methyl]-2-(methylthio)-