≥95% 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 | CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)OCC5=CC=CC=C5)O)CC |
|---|---|
| IUPAC Name | 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one |
| InChIKey | OTINTMLHLKCOBW-NDEPHWFRSA-N |
| INCHI | 1S/C31H34N2O3/c1-3-21-14-23-16-25(17-24(23)15-22(21)4-2)32-18-28(34)26-10-12-29(31-27(26)11-13-30(35)33-31)36-19-20-8-6-5-7-9-20/h5-15,25,28,32,34H,3-4,16-19H2,1-2H3,(H,33,35)/t28-/m0/s1 |
| Isomeric SMILES | CCC1=C(C=C2CC(CC2=C1)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)OCC5=CC=CC=C5)O)CC |
| PubChem CID | 23521613 |
| Molecular Weight | 482.63 |
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 | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolones |
| Alternative Parents | Hydroquinolines Indanes Phenol ethers Pyridinones Alkyl aryl ethers Aralkylamines Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Lactams Dialkylamines Azacyclic compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroquinolone - Dihydroquinoline - Indane - Phenol ether - Alkyl aryl ether - Pyridinone - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - 1,2-aminoalcohol - Lactam - Secondary alcohol - Ether - Secondary aliphatic amine - Secondary amine - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic alcohol - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 482.600 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 482.257 Da |
| Monoisotopic Mass | 482.257 Da |
| Topological Polar Surface Area | 70.600 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 730.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
