≥99% 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.
| Canonical Smiles | CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
|---|---|
| IUPAC Name | 4-(4-benzhydrylpiperazin-1-yl)-1-methyl-3-nitroquinolin-2-one |
| InChIKey | XIVOLEKHEMYRBO-UHFFFAOYSA-N |
| INCHI | 1S/C27H26N4O3/c1-28-23-15-9-8-14-22(23)25(26(27(28)32)31(33)34)30-18-16-29(17-19-30)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,24H,16-19H2,1H3 |
| Molecular Weight | 454.500 |
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 | Nitroquinolines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitroquinolines and derivatives |
| Alternative Parents | Diphenylmethanes Pyridinylpiperazines N-arylpiperazines 4-aminoquinolines Hydroquinolones Hydroquinolines Dialkylarylamines Nitroaromatic compounds Aminopyridines and derivatives Aralkylamines Pyridinones N-alkylpiperazines Heteroaromatic compounds Vinylogous amides Lactams Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diphenylmethane - Nitroquinoline - Pyridinylpiperazine - N-arylpiperazine - Aminoquinoline - 4-aminoquinoline - Dihydroquinolone - Dihydroquinoline - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Pyridinone - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Pyridine - Benzenoid - Piperazine - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Lactam - C-nitro compound - Tertiary aliphatic amine - Tertiary amine - Organic oxoazanium - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety. |
| External Descriptors | Not available |
| Molecular Weight | 454.500 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 454.2 Da |
| Monoisotopic Mass | 454.2 Da |
| Topological Polar Surface Area | 72.600 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 755.000 |
| 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 |
