| Pubchem Sid | 488199572 |
|---|---|
| Canonical Smiles | CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl |
| IUPAC Name | 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride |
| InChIKey | GQYBNVXJQVIRGC-UHFFFAOYSA-N |
| INCHI | 1S/C19H22FN3O4.ClH/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);1H |
| Isomeric SMILES | CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl |
| Molecular Weight | 411.86 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | N-arylpiperazines Fluoroquinolones Aminoquinolines and derivatives Hydroquinolones Haloquinolines Hydroquinolines Pyridinecarboxylic acids Methoxyanilines Anisoles Dialkylarylamines Alkyl aryl ethers Aryl fluorides Vinylogous amides Heteroaromatic compounds Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Hydrochlorides Organic oxides Organofluorides Hydrocarbon derivatives |
| 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 - Tertiary aliphatic/aromatic amine - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Pyridine - Piperazine - Aryl halide - Benzenoid - 1,4-diazinane - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Amino acid or derivatives - Amino acid - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Secondary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen 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 |
|---|---|---|---|
 A2312134 | Certificate of Analysis | Oct 13, 2025 | G303032 |
| A2312300 | Certificate of Analysis | Oct 13, 2025 | G303032 |
| E2522372 | Certificate of Analysis | May 10, 2025 | G303032 |
| F2504648 | Certificate of Analysis | May 10, 2025 | G303032 |
| F2504658 | Certificate of Analysis | May 10, 2025 | G303032 |
| F2504659 | Certificate of Analysis | May 10, 2025 | G303032 |
| A2312348 | Certificate of Analysis | Jan 02, 2023 | G303032 |
| B2422006 | Certificate of Analysis | Jan 02, 2023 | G303032 |
| Molecular Weight | 411.900 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 411.136 Da |
| Monoisotopic Mass | 411.136 Da |
| Topological Polar Surface Area | 82.100 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 |
