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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 | C1CN2C3=C1C=CC=C3C(=C(C2=O)C(=O)NCCO)O |
|---|---|
| IUPAC Name | 9-hydroxy-N-(2-hydroxyethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide |
| InChIKey | WJTNJBSPHGLNKD-UHFFFAOYSA-N |
| INCHI | 1S/C14H14N2O4/c17-7-5-15-13(19)10-12(18)9-3-1-2-8-4-6-16(11(8)9)14(10)20/h1-3,17-18H,4-7H2,(H,15,19) |
| Molecular Weight | 274.27 |
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 carboxamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline-3-carboxamides |
| Alternative Parents | Hydroquinolones Hydroquinolines Indoles and derivatives Pyridinecarboxylic acids and derivatives N-acylethanolamines Hydroxypyridines Pyridinones Benzenoids Vinylogous acids Vinylogous amides Heteroaromatic compounds Lactams Secondary carboxylic acid amides Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-3-carboxamide - Dihydroquinolone - Dihydroquinoline - Indole or derivatives - Pyridine carboxylic acid or derivatives - N-acylethanolamine - Hydroxypyridine - Pyridinone - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Alkanolamine - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - 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 |
| Molecular Weight | 274.270 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 274.095 Da |
| Monoisotopic Mass | 274.095 Da |
| Topological Polar Surface Area | 89.900 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 474.000 |
| 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 |
![6-Hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxylic acid (2-hydroxy-ethyl)-amide , CAS No.54682384](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)