≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 | CCCCN1C2=CC=CC=C2C(=CC1=O)C |
|---|---|
| IUPAC Name | 1-butyl-4-methylquinolin-2-one |
| InChIKey | BDQRFECVDXBVMM-UHFFFAOYSA-N |
| INCHI | 1S/C14H17NO/c1-3-4-9-15-13-8-6-5-7-12(13)11(2)10-14(15)16/h5-8,10H,3-4,9H2,1-2H3 |
| Isomeric SMILES | CCCCN1C2=CC=CC=C2C(=CC1=O)C |
| Molecular Weight | 215.29 |
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 | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolones |
| Alternative Parents | Hydroquinolines Pyridinones Methylpyridines Benzenoids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroquinolone - Dihydroquinoline - Pyridinone - Methylpyridine - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 215.290 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 215.131 Da |
| Monoisotopic Mass | 215.131 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 295.000 |
| 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 |
K2513198