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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=CC2=C1NC3=C(C2=O)CN(CC3)C(=O)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 7-chloro-6-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one |
| InChIKey | NEINMRWSCVQBKY-UHFFFAOYSA-N |
| INCHI | 1S/C15H12ClF3N2O2/c1-7-10(16)3-2-8-12(7)20-11-4-5-21(6-9(11)13(8)22)14(23)15(17,18)19/h2-3H,4-6H2,1H3,(H,20,22) |
| Isomeric SMILES | CC1=C(C=CC2=C1NC3=C(C2=O)CN(CC3)C(=O)C(F)(F)F)Cl |
| PubChem CID | 53337549 |
| Molecular Weight | 344.72 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Naphthyridines Hydroquinolines Pyridines and derivatives Aryl chlorides Benzenoids Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Organofluorides Organonitrogen compounds Organopnictogen compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Haloquinoline - Dihydroquinolone - Chloroquinoline - Diazanaphthalene - Dihydroquinoline - Naphthyridine - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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 |
| Molecular Weight | 344.710 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 344.054 Da |
| Monoisotopic Mass | 344.054 Da |
| Topological Polar Surface Area | 49.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 576.000 |
| 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 |
![7-chloro-6-methyl-2-(trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10(2H)-one , CAS No.1325307-44-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)