≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3NC2=O)Br |
|---|---|
| IUPAC Name | 2-[4-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile |
| InChIKey | VDJPWUIERGLWRZ-UHFFFAOYSA-N |
| INCHI | 1S/C20H15BrN4O/c1-20(2,11-22)12-3-6-14(7-4-12)25-18-15-9-13(21)5-8-16(15)23-10-17(18)24-19(25)26/h3-10H,1-2H3,(H,24,26) |
| Isomeric SMILES | CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3NC2=O)Br |
| PubChem CID | 42609569 |
| Molecular Weight | 407.28 |
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 | Imidazoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazoquinolines |
| Alternative Parents | Phenylimidazoles Haloquinolines Phenylpropanes Imidazo-[4,5-c]pyridines Pyridinones N-substituted imidazoles Aryl bromides Heteroaromatic compounds Ureas Nitriles Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazoquinoline - 1-phenylimidazole - Haloquinoline - Imidazopyridine - Phenylpropane - Imidazo-[4,5-c]pyridine - Pyridinone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Urea - Azacycle - Carbonitrile - Nitrile - Cyanide - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidazoquinolines. These are aromatic heterocyclic compounds containing an imidazole ring fused to a quinoline ring system. In some configurations, the imidazole ring shares a nitrogen atom with the quinoline moiety. |
| External Descriptors | Not available |
| Molecular Weight | 407.300 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 406.043 Da |
| Monoisotopic Mass | 406.043 Da |
| Topological Polar Surface Area | 69.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 606.000 |
| 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 |
![2-(4-(8-bromo-2-oxo-2，3-dihydro-1H-imidazo[4，5-c]quinolin-1-yl)phenyl)-2- methylpropanenitrile - ≥98% CAS No(915019-53-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/P/7/P731903.jpg)