Computational investigation of bioactive 2,3-diaryl quinolines using DFT method: FT- IR, NMR spectra, NBO, NLO, HOMO-LUMO transitions, and quantum-chemical properties

Quinolines, a perpetual, multipurpose scaffold in medicinal chemistry

(2021) Pratibha Yadav et al.   BIOORGANIC CHEMISTRY

Fluorine-containing 2,3-diaryl quinolines as potent inhibitors of methicillin and vancomycin-resistant Staphylococcus aureus: Synthesis, antibacterial activity and molecular docking studies

(2021) Shashi Janeoo et al.   JOURNAL OF MOLECULAR STRUCTURE

Palladium-catalyzed synthesis of pyrimidine substituted diaryl ethers through Suzuki Miyaura coupling reactions: Experimental and DFT studies

(2020) Ilham Khan et al.   OPTIK

Influence of acetyl, hydroxy and methyl functional groups on 2-phenylbutanoic acid by quantum computational, spectroscopic and ligand-protein docking studies

(2019) BR. Raajaraman et al.   JOURNAL OF MOLECULAR STRUCTURE

The synthesis and evaluation of quinolinequinones as anti-mycobacterial agents

(2019) Kristiana T. Santoso et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Molecular structure, Hirshfeld surface analysis, spectroscopic (FT-IR, Laser-Raman, UV–vis. and NMR), HOMO-LUMO and NBO investigations on N -(12-amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-methylbenzenesulfonamide

(2018) Can Alaşalvar et al.   JOURNAL OF MOLECULAR STRUCTURE

First theoretical probe for efficient enhancement of nonlinear optical properties of quinacridone based compounds through various modifications

(2018) Muhammad Usman Khan et al.   CHEMICAL PHYSICS LETTERS

Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study

(2018) Muhammad Khalid et al.   Journal of Saudi Chemical Society

An overview of quinoline as a privileged scaffold in cancer drug discovery

(2017) Robert Musiol   Expert Opinion on Drug Discovery

Synthesis, X-ray crystallographic, spectroscopic and computational studies of aminothiazole derivatives

(2017) Muhammad Adeel et al.   JOURNAL OF MOLECULAR STRUCTURE

Facile synthesis, single crystal analysis, and computational studies of sulfanilamide derivatives

(2017) Muhammad Nawaz Tahir et al.   JOURNAL OF MOLECULAR STRUCTURE

Metal-Free Synthesis of 2-Substituted 3-(2-Hydroxyaryl)quinolines and 4-(2-Hydroxyaryl)acridines via Benzyne Chemistry

(2017) Ankit Kumar Dhiman et al.   JOURNAL OF ORGANIC CHEMISTRY

Regioselective Metal-Free C2−H Arylation of Quinoline N -Oxides with Aryldiazonium Salts/Anilines under Ambient Conditions

(2017) Rakesh Kumar et al.   Asian Journal of Organic Chemistry

Theoretical studies and spectroscopic characterization of novel 4-methyl-5-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)benzene-1,2-diol

(2016) Somayeh Soleimani Amiri et al.   JOURNAL OF MOLECULAR STRUCTURE

Computational determination of the Electronic and Nonlinear Optical properties of the molecules 2-(4-aminophenyl) Quinoline, 4-(4-aminophenyl) Quinoline, Anthracene, Anthraquinone and Phenanthrene

(2016) Geh Wilson Ejuh et al.   MATERIALS LETTERS

Spectroscopic investigation (FT-IR, FT-Raman), HOMO–LUMO, NBO analysis and molecular docking study of 4-chlorophenyl quinoline-2-carboxylate

(2015) E. Fazal et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Electron-correlation based externally predictive QSARs for mutagenicity of nitrated-PAHs in Salmonella typhimurium TA100

(2014) Reenu et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

1H-NMR as a Structural and Analytical Tool of Intra- and Intermolecular Hydrogen Bonds of Phenol-Containing Natural Products and Model Compounds

(2014) Pantelis Charisiadis et al.   MOLECULES

Synthesis, crystal structure and ab initio/DFT calculations of a derivative of dithiophosphonates

(2013) M. Karakus et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Synthesis, analysis of spectroscopic and nonlinear optical properties of the novel compound: (S)-N-benzyl-1-phenyl-5-(thiophen-3-yl)-4-pentyn-2-amine

(2012) Mehmet Karabacak et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Quinoline: A versatile heterocyclic

(2012) Akranth Marella et al.   SAUDI PHARMACEUTICAL JOURNAL

3-(1,3,4-Thiadiazole-2-yl)quinoline derivatives: Synthesis, characterization and anti-microbial activity

(2011) Abdul R. Bhat et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Quinolines and structurally related heterocycles as antimalarials

(2010) Kirandeep Kaur et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Frontiers in electronic structure theory

(2010) C. David Sherrill   JOURNAL OF CHEMICAL PHYSICS

Density functional study of the corrosion inhibition properties of 1,2,4-triazole and its amino derivatives

(2009) A. Lesar et al.   CHEMICAL PHYSICS LETTERS

Theoretical analysis of vibrational spectra and scaling-factor of 2-aryl-1,3,4-oxadiazole derivatives

(2008) Davut Avci et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

FT-IR, FT-Raman, NMR spectra, and molecular structure investigation of 2,3-dibromo-N-methylmaleimide: A combined experimental and theoretical study

(2008) Mehmet Karabacak et al.   JOURNAL OF MOLECULAR STRUCTURE

Ab initio Hartree–Fock and density functional theory study on molecular structures, energies, and vibrational frequencies of conformations of 2-hydroxy-3-nitropyridine and 3-hydroxy-2-nitropyridine

(2007) Fatih Ucun et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY