for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | CC1=CC=CC=C1NC(=O)C2=C(NC3=C(C2C4=CC=CO4)C(=O)CCC3)C |
|---|---|
| IUPAC Name | 4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide |
| InChIKey | HIWQJAGWEWRIIP-UHFFFAOYSA-N |
| INCHI | 1S/C22H22N2O3/c1-13-7-3-4-8-15(13)24-22(26)19-14(2)23-16-9-5-10-17(25)20(16)21(19)18-11-6-12-27-18/h3-4,6-8,11-12,21,23H,5,9-10H2,1-2H3,(H,24,26) |
| Isomeric SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC3=C(C2C4=CC=CO4)C(=O)CCC3)C |
| PubChem CID | 11646235 |
| Molecular Weight | 362.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Anilides N-arylamides Toluenes Cyclohexenones Dihydropyridines Vinylogous amides Furans Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Enamines Oxacyclic compounds Dialkylamines Azacyclic compounds Aldehydes Hydrocarbon derivatives Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-3-carboxamide - Anilide - N-arylamide - Dihydropyridine - Toluene - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - Azacycle - Secondary amine - Oxacycle - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Aldehyde - Organonitrogen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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 | 362.400 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 362.163 Da |
| Monoisotopic Mass | 362.163 Da |
| Topological Polar Surface Area | 71.300 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 694.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
