Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ 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.
| ALogP | 3.4 |
|---|
| Canonical Smiles | CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCC4=CC(=CC=C4)N5CCNC5=O |
|---|---|
| IUPAC Name | 1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]imidazolidin-2-one |
| InChIKey | ANGUXJDGJCHGOG-UHFFFAOYSA-N |
| INCHI | 1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31) |
| Isomeric SMILES | CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCC4=CC(=CC=C4)N5CCNC5=O |
| Alternate CAS | 844903-58-8 |
| PubChem CID | 11292933 |
| MeSH Entry Terms | 1-(3-(2-(4-(2-methyl-5-quinolinyl)-1-piperazinyl)ethyl)phenyl)-2-imidazolidinone;GSK163090 |
| Molecular Weight | 415.53 |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Phenylimidazolidines Aminoquinolines and derivatives Phenethylamines Dialkylarylamines N-alkylpiperazines Methylpyridines Aralkylamines Imidazolidinones Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Aminoquinoline - Phenylimidazolidine - Quinoline - Phenethylamine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Methylpyridine - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Pyridine - Imidazolidine - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
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| Solubility | DMSO : 14.29 mg/mL (34.39 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 415.500 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 415.237 Da |
| Monoisotopic Mass | 415.237 Da |
| Topological Polar Surface Area | 51.700 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 607.000 |
| 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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