10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
selective inhibitors of mutant H1047R phosphoinositide- 3-kinase (PI3Ka)
| ALogP | 1.466 |
|---|---|
| HBD Count | 3 |
| Rotatable Bond | 3 |
| Canonical Smiles | C1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3NC2=O)O |
|---|---|
| IUPAC Name | N-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide |
| InChIKey | WKAZEVUZAKRWHB-UHFFFAOYSA-N |
| INCHI | 1S/C17H14N2O3/c20-15-12-8-4-5-9-13(12)19-17(22)14(15)16(21)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)(H2,19,20,22) |
| Isomeric SMILES | C1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3NC2=O)O |
| PubChem CID | 54680441 |
| Molecular Weight | 294.30466 |
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 | Hydroxyquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxyquinolines |
| Alternative Parents | Quinoline-3-carboxamides Quinolones and derivatives Pyridinecarboxylic acids and derivatives Hydroxypyridines Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroxyquinoline - Quinoline-3-carboxamide - Hydroxyquinoline - Quinolone - Pyridine carboxylic acid or derivatives - Hydroxypyridine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxyquinolines. These are compounds containing a quinoline moiety bearing a hydroxyl group. |
| External Descriptors | Not available |
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| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 294.300 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 294.1 Da |
| Monoisotopic Mass | 294.1 Da |
| Topological Polar Surface Area | 78.400 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 480.000 |
| 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 |
