≥95% 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 | CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)F)NCC=O |
|---|---|
| IUPAC Name | ethyl 6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(2-oxoethylamino)quinoline-3-carboxylate |
| InChIKey | LJYKJQRZKAZZEG-UHFFFAOYSA-N |
| INCHI | 1S/C19H22F2N4O4/c1-3-29-19(28)13-11-25(22-4-9-26)16-12(18(13)27)10-14(20)17(15(16)21)24-7-5-23(2)6-8-24/h9-11,22H,3-8H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)F)NCC=O |
| PubChem CID | 53249342 |
| Molecular Weight | 408.4 |
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 | N-arylpiperazines Aminoquinolines and derivatives Hydroquinolones Haloquinolines Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines N-methylpiperazines Aryl fluorides Benzenoids Vinylogous amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Aldehydes |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-methylpiperazine - N-alkylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Aldehyde - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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 | 408.400 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 408.161 Da |
| Monoisotopic Mass | 408.161 Da |
| Topological Polar Surface Area | 82.200 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 669.000 |
| 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 |
