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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC2=C(C=C1F)NC(=O)C(=C2)CN.Cl |
|---|---|
| IUPAC Name | 3-(aminomethyl)-7-fluoro-1H-quinolin-2-one;hydrochloride |
| InChIKey | LAFRJYLCZWBEIQ-UHFFFAOYSA-N |
| INCHI | 1S/C10H9FN2O.ClH/c11-8-2-1-6-3-7(5-12)10(14)13-9(6)4-8;/h1-4H,5,12H2,(H,13,14);1H |
| Molecular Weight | 228.65 |
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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 | Haloquinolines Hydroquinolines Pyridinones Aralkylamines Benzenoids Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Haloquinoline - Dihydroquinolone - Dihydroquinoline - Aralkylamine - Pyridinone - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - 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 | 228.650 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 228.047 Da |
| Monoisotopic Mass | 228.047 Da |
| Topological Polar Surface Area | 55.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 277.000 |
| 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 | 2 |