In the title compound, C26H20ClNO2, the quinoline ring system and the methoxy-phenyl ring form dihedral angles of 69.97 (6) and 22.10 (10)°, respectively, with the propenone linkage. The 4-phenyl ring substituent on the quinoline ring system is oriented at a dihedral angle of 66.47 (3)°. In the crystal, molecules exist as C - H⋯O hydrogen-bonded dimers. The structure is further stabilized by C - H⋯π interactions.

Sarveswari S

Department of Chemistry

School of Advanced Sciences

Vellore Campus

Vijayakumar V

Loh W.-S

Fun H.-K

Reddy B.P.

Fulltext

Vellore Institute of Technology (VIT) is a private university located in&nbsp;Tamil Nadu, India. Founded in 1984, as Vellore Engineering College, the institution offers 20 undergraduate, 34 postgraduate, four integrated and four research programs. It has campuses in Vellore, Amravati, Bhopal and Chennai.

VIT is one of the top ranked private universities in India according to NIRF, THE and QS Rankings.&nbsp;Govt. of India has recognized&nbsp;VIT, Vellore as an&nbsp;Institution of Eminence. This has allowed VIT to take independent quality initiatives and move up in world ranking.

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VIT University

(E)-1-(6-Chloro-2-methyl-4-phenyl-3-quinolyl)-3-(2-methoxyphenyl)prop-2-en-1-one

Acta Crystallographica Section E Structure Reports Online

In this study, the correlation between chemical structures and various parameters such as steric effects and electrostatic interactions to the inhibitory activities of quinolinyl chalcone derivatives is derived to identify the key structural elements required in the rational design of potent and novel anti-malarial compounds. The molecular docking simulations and Comparative Molecular Field Analysis (CoMFA) are carried out on 38 chalcones derivatives using Plasmodium falciparum lactate dehydrogenase (PfLDH) as potential target. Surflex-dock is used to determine the probable binding conformations of all the compounds at the active site of pfLDH and to identify the hydrogen bonding interactions which could be used to alter the inhibitory activities. The CoMFA model has provided statistically significant results with the cross-validated correlation coefficient (q2) of.850 and the non-cross-validated correlation coefficient (r2) of.912. Standard error of estimation (SEE) is.280 and the optimum number of component is five. The predictive ability of the resultant model is evaluated using a test set comprising of 13 molecules and the predicted r2 value is.885. The results provide valuable insight for optimization of quinolinyl chalcone derivatives for better anti-malarial therapy. © 2014 Taylor &amp; Francis.

Journal of Biomolecular Structure and Dynamics

In silicoanalysis reveals the anti-malarial potential of quinolinyl chalcone derivatives

Reusable acidic nickel oxide nanoparticles have been synthesized, characterized and applied as a catalyst to convert 2-aminoaryl ketones and β-ketoesters/ketones into the corresponding quinolines in good yields with high selectivity. This could serve as a simple and convenient procedure for the Friedlander annulations. © 2014 V. Vijayakumar. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

Chinese Chemical Letters

Nickel oxide nanoparticles catalyzed synthesis of poly-substituted quinolines via Friedlander hetero-annulation reaction

The title compounds, namely Methyl 2-methyl- 4 -phenylquinoline-3- carboxylate (I), C 18H 15NO 2, and (2E)-3-(3,4-dimethoxyphenyl)-1-(2-methyl-4 -phenylquinolin- 3-yl)prop-2-en-1-one (II), C 27H 23NO 3, comprising of the phenyl ring, exhibit differences in conformational behaviour with respect to the plane of the quinoline fragment. (I) contains the methyl ester moiety whereas (II) contains the chalcone fragment, consisting of a double bond and phenyl group containing dimethoxy groups as substituents. The dihedral angles between the phenyl group and the quinoline ring is 82.77 (7)° in (I), and 79.02 (8)° in (II) respectively. It is the weak C-H···O=C H-bond and C-H··· π interactions which dictate packing of molecules in (I). In (II), it is C-H···N and C- H··· π, involving the dimethoxy ring, which controls packing of molecules in the crystal lattice. In addition, p·· ·p aromatic stacking interactions involving the quinoline fragment is present in all the molecules. © Springer Science+Business Media, LLC 2012.

Journal of Chemical Crystallography

Synthesis and an Evaluation of Molecular Conformation and Crystal Packing in Two Substituted 4-Phenylquinolines

In the title compound, C11H10O3, the benzodioxole ring adopts a flattened [puckering parameters: q2 = 0.107 (2) Å, φ2 = 160 (1)°] envelope conformation with the methylene C atom as the flap. The crystal packing features chains, parallel to the c axis, composed of dimers connected by weak C - H-O hydrogen bonds and extending in layers in the bc plane.

Journal	Acta Crystallographica Section E Structure Reports Online
Publisher	International Union of Crystallography (IUCr)
ISSN	16005368
Open Access	No