Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F |
|---|---|
| IUPAC Name | 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid |
| InChIKey | NOCJXYPHIIZEHN-UHFFFAOYSA-N |
| INCHI | 1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29) |
| Isómeros SMILES | CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F |
| Peso molecular | 399.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Quinolines and derivatives |
| Subclass | Phenylquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylquinolines |
| Alternative Parents | Quinoline carboxylic acids Fluoroquinolones N-arylpiperazines Aminoquinolines and derivatives Haloquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Fluorobenzenes N-methylpiperazines Aryl fluorides Heteroaromatic compounds Vinylogous amides Amino acids Trialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organofluorides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-alkylpiperazine - N-methylpiperazine - Fluorobenzene - Halobenzene - Benzenoid - 1,4-diazinane - Pyridine - Monocyclic benzene moiety - Piperazine - Aryl halide - Aryl fluoride - Vinylogous amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Carboxylic acid - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. |
| External Descriptors | quinolines |
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| Sensibilidad | Moisture sensitive |
|---|---|
| Peso molecular | 399.400 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 399.139 Da |
| Monoisotopic Mass | 399.139 Da |
| Topological Polar Surface Area | 64.099 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 672.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Zhenyu Lu, Gongke Li, Yufei Hu. (2022) A Tb3+ functionalized triazine-porous organic framework as a ratiometric fluorescent sensor for determination of ciprofloxacin in aquatic products. NEW JOURNAL OF CHEMISTRY, 46 (40): (19153-19160). [PMID:] [10.1039/D2NJ03657F] |
| 2. Hua Jianhao, Jiao Yang, Wang Meng, Yang Yaling. (2018) Determination of norfloxacin or ciprofloxacin by carbon dots fluorescence enhancement using magnetic nanoparticles as adsorbent. MICROCHIMICA ACTA, 185 (2): (1-9). [PMID:29594473] [10.1007/s00604-018-2685-x] |
| 3. Zhao-Hong Hu, Yan–Fei Wang, Ahmed Mohamed Omer, Xiao–kun Ouyang. (2017) Fabrication of ofloxacin imprinted polymer on the surface of magnetic carboxylated cellulose nanocrystals for highly selective adsorption of fluoroquinolones from water. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:28890373] [10.1016/j.ijbiomac.2017.09.009] |
| 4. Wei-Chuang Kong, Chen-Chen Li, Ai-Hong Zhang, Xin-Long Li, Qian-Rui Gong, Bing-Tan Jin, Xiao-Juan Jia, Xu-Ying Liu, Yan-Fei Kang. (2024) A colorimetric-aptamer-based assay for the determination of enrofloxacin through triggering the aggregation of gold nanoparticles. Analytical Methods, [PMID:39311407] [10.1039/D4AY01259C] |
| 5. Xiangwen Chen, Xuan Chen, Juan Pan, Shuqi Deng, Qiubing Qin, Qiang Fu, Jiliang Cao. (2025) Chiral Separation and Molecular Simulation of Five Quinolones on a Bonded Amylose[(S)-α-Methylbenzyl Carbamate] Column (CHIRALPAK IH) and the Elucidation of Its Recognition Mechanism. CHIRALITY, 37 (8): (e70050). [PMID:40678879] [10.1002/chir.70050] |
| 6. Lili Lian, Xinyang Zhang, Jie Hao, Jinyi Lv, Xiyue Wang, Bo Zhu, Dawei Lou. (2018) Magnetic solid-phase extraction of fluoroquinolones from water samples using titanium-based metal-organic framework functionalized magnetic microspheres. JOURNAL OF CHROMATOGRAPHY A, [PMID:30352707] [10.1016/j.chroma.2018.10.019] |
| 7. Wei-Chuang Kong, Chen-Chen Li, Jun-Tao Niu, Xu-Ying Liu, Dong Wei, Yan-Fei Kang. (2025) A label-free aptasensor based on a fluorescent probe containing styrylbenzothiazole for detection of enrofloxacin. Analytical Methods, [PMID:40211802] [10.1039/D4AY02265C] |
| 8. Guangxin Yang, Jingru Zhang, Junyu Zhang, Peng Wang, Wei Xia, Jun Wang, Xiaosheng Shen, Cong Kong. (2025) Utilization of wolfberry biomass waste-derived biochar as an efficient solid-phase extraction material for antibiotic detection in aquatic products. FOOD CHEMISTRY, [PMID:40617214] [10.1016/j.foodchem.2025.145390] |
| 9. Jing Xu, Si-Heng Luo, Chen-ru Xiong, Jia-hao Liu, Zeyu Zhao, Wei-qi Lin, Wei Zhang, Ping Guo, Cheng Pan, Quanlong Li, Zhong-Qun Tian, Bin Ren, Guo-Kun Liu. (2025) AI-Enhanced Rapid SERS Screening of Trace Quinolone Antibiotics across the Source-Pathway-Sink Ecosystem. ANALYTICAL CHEMISTRY, [PMID:41263298] [10.1021/acs.analchem.5c05040] |
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