for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1C(N(N=C1C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CC=C(C=C5)F |
|---|---|
| IUPAC Name | 4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid |
| InChIKey | WLUZUGLVCOSTIO-UHFFFAOYSA-N |
| INCHI | 1S/C28H21ClFN3O4/c29-18-8-11-21-20(14-18)26(17-4-2-1-3-5-17)27(28(37)31-21)22-15-23(16-6-9-19(30)10-7-16)33(32-22)24(34)12-13-25(35)36/h1-11,14,23H,12-13,15H2,(H,31,37)(H,35,36) |
| Peso molecular | 517.900 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Phenylpyridines Chloroquinolines Hydroquinolones Hydroquinolines Pyridinones Fluorobenzenes Aryl chlorides Aryl fluorides Pyrazolines Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organochlorides Organofluorides Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - 4-phenylpyridine - Haloquinoline - Dihydroquinolone - Chloroquinoline - Dihydroquinoline - Fluorobenzene - Halobenzene - Pyridinone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyrazoline - Heteroaromatic compound - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organofluoride - Hydrocarbon derivative - Organochloride - Carbonyl group - Organohalogen compound - 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 | Not available |
| Peso molecular | 517.900 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 517.12 Da |
| Monoisotopic Mass | 517.12 Da |
| Topological Polar Surface Area | 99.100 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 970.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
