≥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.
| Pubchem Sid | 488196442 |
|---|---|
| Canonical Smiles | CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.O |
| IUPAC Name | 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate |
| InChIKey | IJOOSVJZBQQMBV-UHFFFAOYSA-N |
| INCHI | 1S/C19H22FN3O4.H2O/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26;/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26);1H2 |
| Isomeric SMILES | CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.O |
| Alternate CAS | 180200-66-2 |
| PubChem CID | 9930448 |
| Molecular Weight | 375.40(as Anhydrous) |
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 N-arylpiperazines Aminoquinolines and derivatives Haloquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Methoxyanilines Dialkylarylamines Anisoles Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Vinylogous amides Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-3-carboxylic acid - N-arylpiperazine - Fluoroquinolone - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Methoxyaniline - Anisole - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Piperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Tertiary amine - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Azacycle - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Amine - Organohalogen compound - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2319776 | Certificate of Analysis | May 08, 2026 | G182222 |
| G2319749 | Certificate of Analysis | May 08, 2026 | G182222 |
| F2214224 | Certificate of Analysis | Mar 03, 2025 | G182222 |
| F2214225 | Certificate of Analysis | Mar 03, 2025 | G182222 |
| F2214226 | Certificate of Analysis | Mar 03, 2025 | G182222 |
| A1921108 | Certificate of Analysis | Sep 10, 2024 | G182222 |
| A1921107 | Certificate of Analysis | Sep 10, 2024 | G182222 |
| Boil Point(°C) | 684 ℃ |
|---|---|
| Melt Point(°C) | 180-184℃ |
| Molecular Weight | 393.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 393.17 Da |
| Monoisotopic Mass | 393.17 Da |
| Topological Polar Surface Area | 83.100 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 653.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
