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CAS 2101200-10-4

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6-(3,5-Dimethyl-4-isoxazolyl)-3,4-dihydro-1-methyl-4-phenyl-3-(2-propyn-1-yl)-2(1H)-quinazolinone

Description:
The chemical substance known as 6-(3,5-Dimethyl-4-isoxazolyl)-3,4-dihydro-1-methyl-4-phenyl-3-(2-propyn-1-yl)-2(1H)-quinazolinone, with the CAS number 2101200-10-4, is a complex organic compound characterized by its unique structural features. It contains a quinazolinone core, which is a bicyclic structure known for its diverse biological activities. The presence of the isoxazole ring contributes to its potential pharmacological properties, while the dimethyl and phenyl substituents enhance its lipophilicity and may influence its interaction with biological targets. The compound also features a propynyl group, which can affect its reactivity and solubility. Overall, this substance may exhibit interesting biological activities, making it a candidate for further research in medicinal chemistry. Its specific characteristics, such as melting point, solubility, and spectral data, would require empirical determination through experimental methods.
Formula:C23H21N3O2
InChI:InChI=1S/C23H21N3O2/c1-5-13-26-22(17-9-7-6-8-10-17)19-14-18(21-15(2)24-28-16(21)3)11-12-20(19)25(4)23(26)27/h1,6-12,14,22H,13H2,2-4H3
InChI key:InChIKey=ZKJVDZJHVLJOKO-UHFFFAOYSA-N
SMILES:C(C#C)N1C(C=2C(N(C)C1=O)=CC=C(C2)C=3C(C)=NOC3C)C4=CC=CC=C4
Synonyms:
  • 6-(3,5-Dimethyl-4-isoxazolyl)-3,4-dihydro-1-methyl-4-phenyl-3-(2-propyn-1-yl)-2(1H)-quinazolinone
  • 2(1H)-Quinazolinone, 6-(3,5-dimethyl-4-isoxazolyl)-3,4-dihydro-1-methyl-4-phenyl-3-(2-propyn-1-yl)-
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