Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ 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.
| Canonical Smiles | CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC |
|---|---|
| IUPAC Name | 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one |
| InChIKey | BMMXYEBLEBULND-UHFFFAOYSA-N |
| INCHI | 1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3 |
| Isomeric SMILES | CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC |
| PubChem CID | 11978790 |
| Molecular Weight | 534.53 |
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 | Imidazoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazoquinolines |
| Alternative Parents | Phenylpiperazines N-arylpiperazines Phenylimidazoles Trifluoromethylbenzenes Imidazo-[4,5-c]pyridines Aniline and substituted anilines Dialkylarylamines Pyridinones Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Ureas Azacyclic compounds Dialkylamines Alkyl fluorides Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazoquinoline - Phenylpiperazine - N-arylpiperazine - 1-phenylimidazole - Trifluoromethylbenzene - Imidazopyridine - Imidazo-[4,5-c]pyridine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Pyridinone - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Piperazine - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Urea - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Alkyl halide - Organic oxygen compound - Organohalogen compound - Organofluoride - Alkyl fluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidazoquinolines. These are aromatic heterocyclic compounds containing an imidazole ring fused to a quinoline ring system. In some configurations, the imidazole ring shares a nitrogen atom with the quinoline moiety. |
| External Descriptors | organofluorine compound - aromatic ether - N-arylpiperazine - pyridines - ring assembly - imidazoquinoline |
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| Molecular Weight | 534.500 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 534.199 Da |
| Monoisotopic Mass | 534.199 Da |
| Topological Polar Surface Area | 73.800 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 873.000 |
| 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 |
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