≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC1COC2=C3N1C=C(C(=O)C3=CC(=C2NCCNC)F)C(=O)O |
|---|---|
| IUPAC Name | (2S)-7-fluoro-2-methyl-6-[2-(methylamino)ethylamino]-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid |
| InChIKey | DTSGFABJBJMJFG-QMMMGPOBSA-N |
| INCHI | 1S/C16H18FN3O4/c1-8-7-24-15-12(19-4-3-18-2)11(17)5-9-13(15)20(8)6-10(14(9)21)16(22)23/h5-6,8,18-19H,3-4,7H2,1-2H3,(H,22,23)/t8-/m0/s1 |
| Isomeric SMILES | C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2NCCNC)F)C(=O)O |
| Alternate CAS | 151250-76-9 |
| PubChem CID | 71315635 |
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 Aminoquinolines and derivatives Hydroquinolones Haloquinolines Benzoxazines Hydroquinolines Pyridinecarboxylic acids Alkyl aryl ethers Secondary alkylarylamines Aryl fluorides Benzenoids Vinylogous amides Heteroaromatic compounds Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Oxacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-3-carboxylic acid - Fluoroquinolone - Dihydroquinolone - Haloquinoline - Aminoquinoline - Dihydroquinoline - Benzoxazine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aryl fluoride - Pyridine - Aryl halide - Benzenoid - Vinylogous amide - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Secondary amine - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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 | 335.330 g/mol |
|---|---|
| XLogP3 | -0.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 335.128 Da |
| Monoisotopic Mass | 335.128 Da |
| Topological Polar Surface Area | 90.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 555.000 |
| 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 |
