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.
I2906 showed antimycobacterial and cytotoxic activity against Mycobacterium tuberculosis and alone or in combination with isoniazid reduced bacterial count in lung and spleen of mouse model of multidrug resistant M. tuberculosis infection
| Canonical Smiles | CCCCCCCCCCCCC(=O)NNC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC)O |
|---|---|
| IUPAC Name | 1-ethyl-4-hydroxy-2-oxo-N'-tridecanoylquinoline-3-carbohydrazide |
| InChIKey | WIEYSVJHCLJOJT-UHFFFAOYSA-N |
| INCHI | 1S/C25H37N3O4/c1-3-5-6-7-8-9-10-11-12-13-18-21(29)26-27-24(31)22-23(30)19-16-14-15-17-20(19)28(4-2)25(22)32/h14-17,30H,3-13,18H2,1-2H3,(H,26,29)(H,27,31) |
| Isomeric SMILES | CCCCCCCCCCCCC(=O)NNC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC)O |
| Molecular Weight | 443.58 |
| Reaxy-Rn | 25999539 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25999539&ln= |
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 carboxamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline-3-carboxamides |
| Alternative Parents | Hydroquinolones Hydroquinolines Pyridinecarboxylic acids and derivatives Hydroxypyridines Pyridinones Benzenoids Vinylogous acids Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid hydrazides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-3-carboxamide - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Hydroxypyridine - Pyridinone - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Carboxylic acid hydrazide - Lactam - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinoline-3-carboxamides. These are quinolines in which the quinoline ring system is substituted by one carboxamide group at the 3-position. |
| External Descriptors | Not available |
| Solubility | DMSO |
|---|---|
| Molecular Weight | 443.600 g/mol |
| XLogP3 | 7.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 13 |
| Exact Mass | 443.278 Da |
| Monoisotopic Mass | 443.278 Da |
| Topological Polar Surface Area | 98.700 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 662.000 |
| 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 |
