≥98% 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.
| Canonical Smiles | CC1=C(C(=O)C2=C(N1)C=CC(=C2)F)C(=CC(=O)NC3=CC=C(C=C3)F)C |
|---|---|
| IUPAC Name | (E)-3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide |
| InChIKey | CARZQIACBHGQCP-PKNBQFBNSA-N |
| INCHI | 1S/C20H16F2N2O2/c1-11(9-18(25)24-15-6-3-13(21)4-7-15)19-12(2)23-17-8-5-14(22)10-16(17)20(19)26/h3-10H,1-2H3,(H,23,26)(H,24,25)/b11-9+ |
| Isomeric SMILES | CC1=C(C(=O)C2=C(N1)C=CC(=C2)F)/C(=C/C(=O)NC3=CC=C(C=C3)F)/C |
| PubChem CID | 46739161 |
| Molecular Weight | 354.4 |
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 |
| Class | Quinolines and derivatives |
| Subclass | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluoroquinolones |
| Alternative Parents | Haloquinolines Hydroquinolones Hydroquinolines Anilides N-arylamides Fluorobenzenes Methylpyridines Aryl fluorides Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Azacyclic compounds Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Fluoroquinolone - Dihydroquinolone - Haloquinoline - Dihydroquinoline - Anilide - N-arylamide - Halobenzene - Methylpyridine - Fluorobenzene - Benzenoid - Aryl halide - Pyridine - Monocyclic benzene moiety - Aryl fluoride - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluoroquinolones. These are compounds containing a fluorine atom attached to a quinolone. Quinolone or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine, and bears a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 354.300 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 354.118 Da |
| Monoisotopic Mass | 354.118 Da |
| Topological Polar Surface Area | 58.200 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 636.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
