Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
≥99%(HPLC) 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 | CCCCCN1C=C(C(=O)C2=C1C=CC(=C2)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5 |
|---|---|
| IUPAC Name | N-(1-adamantyl)-4-oxo-1-pentyl-6-phenylquinoline-3-carboxamide |
| InChIKey | MSJISJDTJJYBFT-UHFFFAOYSA-N |
| INCHI | 1S/C31H36N2O2/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35) |
| Isomeric SMILES | CCCCCN1C=C(C(=O)C2=C1C=CC(=C2)C3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5 |
| Molecular Weight | 468.63 |
| Reaxy-Rn | 19223088 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19223088&ln= |
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 | Quinoline-3-carboxamides Hydroquinolones Hydroquinolines Pyridinecarboxylic acids and derivatives Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - Quinoline-3-carboxamide - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Benzenoid - Pyridine - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - 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 |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | Solvent:ethanol, Max Conc. mg/mL: 46.86, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 9.37, Max Conc. mM: 20 |
|---|---|
| Molecular Weight | 468.600 g/mol |
| XLogP3 | 7.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 468.278 Da |
| Monoisotopic Mass | 468.278 Da |
| Topological Polar Surface Area | 49.400 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 800.000 |
| 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 |