≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)OCC3(CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)O)F |
|---|---|
| IUPAC Name | 7-[4-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-hydroxypiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid |
| InChIKey | YEDRNPDLVCNIAV-FQEVSTJZSA-N |
| INCHI | 1S/C31H32F2N4O8/c1-17(38)34-13-20-14-37(30(42)45-20)19-4-5-27(24(33)10-19)44-16-31(43)6-8-35(9-7-31)26-12-25-21(11-23(26)32)28(39)22(29(40)41)15-36(25)18-2-3-18/h4-5,10-12,15,18,20,43H,2-3,6-9,13-14,16H2,1H3,(H,34,38)(H,40,41)/t20-/m0/s1 |
| Isomeric SMILES | CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OCC3(CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)O)F |
| Alternate CAS | 790704-42-6 |
| PubChem CID | 11273606 |
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 | Quinoline carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline carboxylic acids |
| Alternative Parents | Fluoroquinolones Haloquinolines Aminoquinolines and derivatives Hydroquinolines Pyridinecarboxylic acids Phenoxy compounds Phenol ethers Dialkylarylamines Tetrahydropyridines Short-chain keto acids and derivatives Methylpyridines Hydroxypyridines Hydroxy fatty acids Heterocyclic fatty acids Halogenated fatty acids Fluorobenzenes Branched fatty acids Beta-keto acids and derivatives Alkyl aryl ethers Unsaturated fatty acids Piperidines Oxazolidinones Beta-hydroxy ketones Beta-amino ketones Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Tertiary alcohols Heteroaromatic compounds Enones Carbamate esters Acryloyl compounds Acetamides 1,3-aminoalcohols Trialkylamines Organic carbonic acids and derivatives Amino acids Vinyl fluorides Oxacyclic compounds Monocarboxylic acids and derivatives Fluoroalkenes Enamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-3-carboxylic acid - Fluoroquinolone - Haloquinoline - Aminoquinoline - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Phenoxy compound - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Methylpyridine - Hydroxypyridine - Tetrahydropyridine - Short-chain keto acid - Hydroxy fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Fluorobenzene - Branched fatty acid - Beta-keto acid - Alkyl aryl ether - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Unsaturated fatty acid - Pyridine - Piperidine - Oxazolidinone - Keto acid - Beta-hydroxy ketone - Beta-aminoketone - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Vinylogous amide - Alpha,beta-unsaturated ketone - Carbamic acid ester - Tertiary alcohol - Oxazolidine - Enone - Acryloyl-group - 1,3-aminoalcohol - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Ketone - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Fluoroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Monocarboxylic acid or derivatives - Ether - Enamine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. |
| External Descriptors | Not available |
| Molecular Weight | 626.600 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 9 |
| Exact Mass | 626.219 Da |
| Monoisotopic Mass | 626.219 Da |
| Topological Polar Surface Area | 149.000 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1210.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
