Related Products of 90-52-8, In homogeneous catalysis, catalysts are in the same phase as the reactants. Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 90-52-8, Name is 8-Amino-6-methoxyquinoline, SMILES is COC1=CC(N)=C2N=CC=CC2=C1, belongs to quinoxaline compound. In a article, author is Bouzian, Younos, introduce new discover of the category.
Crystal structure, Hirshfeld surface analysis, DFT and molecular docking investigation of 2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinoline-4-carboxylate
In the molecular structure of the title compound, C20H21N3O7, the quinoline ring system is slightly bent, with a dihedral angle between the phenyl and the pyridine rings of 3.47 (7)degrees. In the crystal, corrugated layers of molecules extending along the ab plane are generated by C-H center dot center dot center dot O hydrogen bonds. The intermolecular interactions were quantified by Hirshfeld surface analysis and two-dimensional fingerprint plots. The most significant contributions to the crystal packing are from H center dot center dot center dot H (42.3%), H center dot center dot center dot O/O center dot center dot center dot H (34.5%) and H center dot center dot center dot C/C center dot center dot center dot H (17.6%) contacts. Molecular orbital calculations providing electron-density plots of the HOMO and LUMO as well as molecular electrostatic potentials (MEP) were computed, both with the DFT/B3LYP/6-311 G++(d,p) basis set. A molecular docking study between the title molecule and the COVID-19 main protease (PDB ID: 6LU7) was performed, showing that it is a good agent because of its affinity and ability to adhere to the active sites of the protein.
Related Products of 90-52-8, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 90-52-8.
Reference:
Quinoline – Wikipedia,
,Quinoline | C9H7N – PubChem