≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged,Desiccated 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 | CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NC3CC4CCC(C3)N4CC(CN(C)S(=O)(=O)C)O.Cl |
|---|---|
| IUPAC Name | N-[(1S,5R)-8-[(2R)-2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide;hydrochloride |
| InChIKey | BLIKSWRONBYRDD-BCDHGJHMSA-N |
| INCHI | 1S/C25H36N4O5S.ClH/c1-16(2)29-23-8-6-5-7-17(23)11-22(25(29)32)24(31)26-18-12-19-9-10-20(13-18)28(19)15-21(30)14-27(3)35(4,33)34;/h5-8,11,16,18-21,30H,9-10,12-15H2,1-4H3,(H,26,31);1H/t18?,19-,20+,21-;/m0./s1 |
| Isómeros SMILES | CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NC3C[C@H]4CC[C@@H](C3)N4C[C@H](CN(C)S(=O)(=O)C)O.Cl |
| CAS alternativo | 866933-51-9 |
| PubChem CID | 11842632 |
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 | Quinoline carboxamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline-3-carboxamides |
| Alternative Parents | Hydroquinolones Hydroquinolines Tropane alkaloids Pyridinecarboxylic acids and derivatives Pyridinones Benzenoids N-alkylpyrrolidines Organic sulfonamides Organosulfonamides Piperidines Vinylogous amides Heteroaromatic compounds Aminosulfonyl compounds Amino acids and derivatives Lactams Trialkylamines 1,2-aminoalcohols Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-3-carboxamide - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Tropane alkaloid - Pyridinone - Piperidine - Pyridine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Aminosulfonyl compound - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Lactam - 1,2-aminoalcohol - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Hydrochloride - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 541.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 540.217 Da |
| Monoisotopic Mass | 540.217 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 932.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 | 2 |
