≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Sonrisas canónicas | CC1=C(N=CN1)C2CCN(CC2)C3=NC4=CC=CC5=C4N3CCC5=O |
|---|---|
| IUPAC Name | 2-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one |
| InChIKey | YKJJROIKVYSPDH-UHFFFAOYSA-N |
| INCHI | 1S/C19H21N5O/c1-12-17(21-11-20-12)13-5-8-23(9-6-13)19-22-15-4-2-3-14-16(25)7-10-24(19)18(14)15/h2-4,11,13H,5-10H2,1H3,(H,20,21) |
| Isómeros SMILES | CC1=C(N=CN1)C2CCN(CC2)C3=NC4=CC=CC5=C4N3CCC5=O |
| Peso molecular | 335.4 |
| Reaxy-Rn | 25725097 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25725097&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 |
| Clase | Quinolines and derivatives |
| Subclass | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinolones and derivatives |
| Alternative Parents | Benzimidazoles Dialkylarylamines Aryl alkyl ketones Piperidines N-substituted imidazoles Benzenoids Aminoimidazoles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinolone - Benzimidazole - Aryl ketone - Aryl alkyl ketone - Dialkylarylamine - Aminoimidazole - Benzenoid - Piperidine - N-substituted imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Ketone - Azacycle - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as quinolones and derivatives. These are compounds containing a quinoline moiety which bears a ketone group. |
| External Descriptors | Not available |
| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 3.35, Max Conc. mM: 10; Solvent:ethanol, Max Conc. mg/mL: 16.77, Max Conc. mM: 50 |
|---|---|
| Peso molecular | 335.400 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 335.175 Da |
| Monoisotopic Mass | 335.175 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 520.000 |
| 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 |
