≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CN1C(=NC=N1)C2C(NC3=CC(=CC(=C3C2=O)C(=O)OC)F)C4=CC=C(C=C4)F |
|---|---|
| IUPAC Name | methyl (2S,3S)-7-fluoro-2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-4-oxo-2,3-dihydro-1H-quinoline-5-carboxylate |
| InChIKey | PVAIIDFKUPYMQA-IAGOWNOFSA-N |
| INCHI | 1S/C20H16F2N4O3/c1-26-19(23-9-24-26)16-17(10-3-5-11(21)6-4-10)25-14-8-12(22)7-13(20(28)29-2)15(14)18(16)27/h3-9,16-17,25H,1-2H3/t16-,17-/m1/s1 |
| Isómeros SMILES | CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC(=C3C2=O)C(=O)OC)F)C4=CC=C(C=C4)F |
| PubChem CID | 58389322 |
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 | Hydroquinolones 3-halobenzoic acids and derivatives Hydroquinolines Aryl alkyl ketones Secondary alkylarylamines Aralkylamines Fluorobenzenes Aryl fluorides Vinylogous amides Triazoles Methyl esters Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - Tetrahydroquinolone - Quinolone - Tetrahydroquinoline - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aryl ketone - Aryl alkyl ketone - Aralkylamine - Secondary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Methyl ester - Vinylogous amide - Heteroaromatic compound - 1,2,4-triazole - Azole - Amino acid or derivatives - Carboxylic acid ester - Ketone - Azacycle - Secondary amine - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organohalogen compound - Organic nitrogen compound - Organic oxygen 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 | 398.400 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 398.119 Da |
| Monoisotopic Mass | 398.119 Da |
| Topological Polar Surface Area | 86.100 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 631.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
