| Canonical Smiles | C1CC(=O)NC2=C1C(=CC=C2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-nitro-3,4-dihydro-1H-quinolin-2-one |
| InChIKey | KMXZMXUXZVCNNN-UHFFFAOYSA-N |
| INCHI | 1S/C9H8N2O3/c12-9-5-4-6-7(10-9)2-1-3-8(6)11(13)14/h1-3H,4-5H2,(H,10,12) |
| Molecular Weight | 192.17 |
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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 | Hydroquinolones Hydroquinolines Nitroaromatic compounds Benzenoids Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Nitroquinoline - Tetrahydroquinolone - Quinolone - Tetrahydroquinoline - Nitroaromatic compound - Benzenoid - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic salt - Organic nitrogen 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 | 192.170 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 192.053 Da |
| Monoisotopic Mass | 192.053 Da |
| Topological Polar Surface Area | 74.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 261.000 |
| 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 |
