CAS 1306738-96-4

2-Amino-7,8-dihydro-7-[4-(1-methylethyl)phenyl]-5(6H)-quinazolinone

Description:

2-Amino-7,8-dihydro-7-[4-(1-methylethyl)phenyl]-5(6H)-quinazolinone is a synthetic organic compound characterized by its quinazolinone core structure, which is a bicyclic compound containing both a benzene and a pyrimidine ring. This compound features an amino group at the 2-position and a dihydro group at the 7 and 8 positions, contributing to its potential biological activity. The presence of a 4-(1-methylethyl)phenyl substituent enhances its lipophilicity and may influence its interaction with biological targets. Typically, compounds of this class are investigated for their pharmacological properties, including potential anti-inflammatory, analgesic, or anticancer activities. The molecular structure suggests that it may engage in hydrogen bonding and π-π interactions, which are crucial for its biological efficacy. Additionally, the compound's solubility, stability, and reactivity can be influenced by the functional groups present, making it a subject of interest in medicinal chemistry and drug development.

Formula: C₁₇H₁₉N₃O

InChI: InChI=1S/C17H19N3O/c1-10(2)11-3-5-12(6-4-11)13-7-15-14(16(21)8-13)9-19-17(18)20-15/h3-6,9-10,13H,7-8H2,1-2H3,(H2,18,19,20)

InChI key: InChIKey=BTVSENCGKIPKMO-UHFFFAOYSA-N

SMILES: O=C1C=2C(CC(C1)C3=CC=C(C(C)C)C=C3)=NC(N)=NC2

Synonyms:

• 5(6H)-Quinazolinone, 2-amino-7,8-dihydro-7-[4-(1-methylethyl)phenyl]-
• 2-Amino-7,8-dihydro-7-[4-(1-methylethyl)phenyl]-5(6H)-quinazolinone