≥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 | C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)C=CC4=NC5=CC=CC=C5N4 |
|---|---|
| IUPAC Name | 3-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one |
| InChIKey | SBOKKVUBLNZTCT-OUKQBFOZSA-N |
| INCHI | 1S/C25H16ClN3O2/c26-16-10-11-18-17(14-16)23(15-6-2-1-3-7-15)24(25(31)29-18)21(30)12-13-22-27-19-8-4-5-9-20(19)28-22/h1-14H,(H,27,28)(H,29,31)/b13-12+ |
| Isomeric SMILES | C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)/C=C/C4=NC5=CC=CC=C5N4 |
| PubChem CID | 5343381 |
| Molecular Weight | 425.87 |
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 | Phenylquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylquinolines |
| Alternative Parents | Phenylpyridines Chloroquinolines Hydroquinolones Hydroquinolines Benzimidazoles Aryl ketones Pyridinones Benzene and substituted derivatives Aryl chlorides Imidazoles Heteroaromatic compounds Enones Vinylogous amides Acryloyl compounds Lactams Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - 4-phenylpyridine - Haloquinoline - Dihydroquinolone - Chloroquinoline - Dihydroquinoline - Benzimidazole - Aryl ketone - Pyridinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Acryloyl-group - Azole - Enone - Heteroaromatic compound - Imidazole - Vinylogous amide - Alpha,beta-unsaturated ketone - Ketone - Lactam - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 425.900 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 425.093 Da |
| Monoisotopic Mass | 425.093 Da |
| Topological Polar Surface Area | 74.900 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 773.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
![(E)-3-(1H-benzo[d]imidazol-2-yl)-1-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)prop-2-en-1-one - ≥98% CAS No(1233322-09-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/1/E1055762.jpg)