Information card for entry 7159911

Structure parameters

• Common name: 2-Amino-benzoic acid 2-chloro-6-methyl-quinolin-3-ylmethyl ester
• Chemical name: 2-Amino-benzoic acid 2-chloro-6-methyl-quinolin-3-ylmethyl ester
• Formula: C18 H15 Cl N2 O2
• Calculated formula: C18 H15 Cl N2 O2
• SMILES: c1(c(cc2c(ccc(c2)C)n1)COC(=O)c1ccccc1N)Cl
• Title of publication: Design, synthesis, biological evaluation and molecular docking studies of quinoline-anthranilic acid hybrids as potent anti-inflammatory drugs.
• Authors of publication: Siddique, Sidra; Hussain, Khalid; Shehzadi, Naureen; Arshad, Muhammad; Arshad, Muhammad Nadeem; Iftikhar, Sadaf; Saghir, Farhat; Shaukat, Ayisha; Sarfraz, Muhammad; Ahmed, Nisar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 18
• Pages of publication: 3708 - 3724
• a: 9.56 ± 0.0008 Å
• b: 17.5287 ± 0.0018 Å
• c: 9.6337 ± 0.001 Å
• α: 90°
• β: 100.077 ± 0.002°
• γ: 90°
• Cell volume: 1589.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1448
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No