CAS 866018-89-5

2-(3,4-Dihydro-3-oxo-2H-pyrido[3,2-b]-1,4-oxazin-2-yl)ethyl 4-fluorobenzoate

Description:

2-(3,4-Dihydro-3-oxo-2H-pyrido[3,2-b]-1,4-oxazin-2-yl)ethyl 4-fluorobenzoate, with the CAS number 866018-89-5, is a chemical compound characterized by its complex structure, which includes a pyrido-oxazine moiety and an ester functional group. This compound typically exhibits properties associated with both heterocyclic and aromatic compounds, including potential biological activity due to its unique molecular framework. The presence of the 4-fluorobenzoate group suggests that it may have enhanced lipophilicity and could interact with biological targets, making it of interest in medicinal chemistry. The compound's molecular structure may contribute to its stability and reactivity, influencing its solubility and potential applications in pharmaceuticals or agrochemicals. Additionally, the presence of the fluorine atom can affect the electronic properties of the molecule, potentially enhancing its pharmacokinetic profile. Overall, this compound represents a class of organic molecules that may have significant implications in drug development and other chemical applications.

Formula: C₁₆H₁₃FN₂O₄

InChI: InChI=1S/C16H13FN2O4/c17-11-5-3-10(4-6-11)16(21)22-9-7-13-15(20)19-14-12(23-13)2-1-8-18-14/h1-6,8,13H,7,9H2,(H,18,19,20)

InChI key: InChIKey=DHEUABHSXLTPHB-UHFFFAOYSA-N

SMILES: C(COC(=O)C1=CC=C(F)C=C1)C2OC=3C(NC2=O)=NC=CC3

Synonyms:

• Benzoic acid, 4-fluoro-, 2-(3,4-dihydro-3-oxo-2H-pyrido[3,2-b]-1,4-oxazin-2-yl)ethyl ester
• 2-(3,4-Dihydro-3-oxo-2H-pyrido[3,2-b]-1,4-oxazin-2-yl)ethyl 4-fluorobenzoate