≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Canonical Smiles | CC1=C(C=CC(=C1)OC)N2C(=O)C3=C(C(=O)N2)NC4=C(C3=O)C=CC(=C4)Cl |
|---|---|
| IUPAC Name | 7-chloro-2-(4-methoxy-2-methylphenyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione |
| InChIKey | PSTDMIAVUUYOOQ-UHFFFAOYSA-N |
| INCHI | 1S/C19H14ClN3O4/c1-9-7-11(27-2)4-6-14(9)23-19(26)15-16(18(25)22-23)21-13-8-10(20)3-5-12(13)17(15)24/h3-8H,1-2H3,(H,21,24)(H,22,25) |
| Isomeric SMILES | CC1=C(C=CC(=C1)OC)N2C(=O)C3=C(C(=O)N2)NC4=C(C3=O)C=CC(=C4)Cl |
| PubChem CID | 9843028 |
| Molecular Weight | 383.79 |
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 | Chloroquinolines Hydroquinolines Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Pyridazinones Alkyl aryl ethers Toluenes Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Vinylogous amides Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Haloquinoline - Dihydroquinolone - Chloroquinoline - Dihydroquinoline - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridazinone - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridazine - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 19.19, Max Conc. mM: 50; Solvent:1eq. NaOH, Max Conc. mg/mL: 7.68, Max Conc. mM: 20 |
|---|---|
| Molecular Weight | 383.800 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 383.067 Da |
| Monoisotopic Mass | 383.067 Da |
| Topological Polar Surface Area | 87.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 709.000 |
| 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 |
