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.
| Sonrisas canónicas | CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCCC(=O)NC3=CC(=CC=C3)OC)C#N |
|---|---|
| IUPAC Name | 3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide |
| InChIKey | ZDWGVIFGQNEQHR-UHFFFAOYSA-N |
| INCHI | 1S/C24H27N3O3S/c1-5-17-18(14-25)23(27-19-12-24(2,3)13-20(28)22(17)19)31-10-9-21(29)26-15-7-6-8-16(11-15)30-4/h6-8,11H,5,9-10,12-13H2,1-4H3,(H,26,29) |
| Peso molecular | 437.600 |
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 |
| Clase | Quinolines and derivatives |
| Subclass | Hydroquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolines |
| Alternative Parents | Anilides Methoxyanilines Anisoles Aryl alkyl ketones Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetrahydroquinoline - Methoxyaniline - Anilide - Phenoxy compound - Aryl thioether - Anisole - N-arylamide - Phenol ether - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carboxamide group - Ketone - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organosulfur compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms. |
| External Descriptors | Not available |
| Peso molecular | 437.600 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 437.177 Da |
| Monoisotopic Mass | 437.177 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 703.000 |
| 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 |
![3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide , CAS No.670272-94-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)