| Canonical Smiles | C1=CC2=C(C=CC(=C2N=C1)C=O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-nitroquinoline-8-carbaldehyde |
| InChIKey | OADWZRGEFPVNSY-UHFFFAOYSA-N |
| INCHI | 1S/C10H6N2O3/c13-6-7-3-4-9(12(14)15)8-2-1-5-11-10(7)8/h1-6H |
| Molecular Weight | 202.17 |
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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 | Nitroaromatic compounds Aryl-aldehydes Pyridines and derivatives Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Nitroquinoline - Nitroaromatic compound - Aryl-aldehyde - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aldehyde - Organic salt - Organic cation - 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 | 202.170 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 202.038 Da |
| Monoisotopic Mass | 202.038 Da |
| Topological Polar Surface Area | 75.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 264.000 |
| 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 |
