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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 | COC1=CC=C(C=C1)CCNC(=O)C2=C(C3=CC=CC4=C3N(C2=O)CC4)O |
|---|---|
| IUPAC Name | 9-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide |
| InChIKey | NDSGPJNBAHPYKG-UHFFFAOYSA-N |
| INCHI | 1S/C21H20N2O4/c1-27-15-7-5-13(6-8-15)9-11-22-20(25)17-19(24)16-4-2-3-14-10-12-23(18(14)16)21(17)26/h2-8,24H,9-12H2,1H3,(H,22,25) |
| Molecular Weight | 364.4 |
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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 Pyridinecarboxylic acids and derivatives Indoles and derivatives Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyridinones Hydroxypyridines Vinylogous amides Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-3-carboxamide - Dihydroquinolone - Dihydroquinoline - Indole or derivatives - Pyridine carboxylic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Hydroxypyridine - Pyridinone - Monocyclic benzene moiety - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Vinylogous acid - Lactam - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - 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 | 364.400 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 364.142 Da |
| Monoisotopic Mass | 364.142 Da |
| Topological Polar Surface Area | 78.900 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 624.000 |
| 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-(4-methoxy-phenyl)-ethyl]-amide , CAS No.54682381](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)