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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC2=C(C=CC3=CC=CN32)C(=C1)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 6-nitropyrrolo[1,2-a]quinoline |
| InChIKey | BWDDZHBBEMLCOZ-UHFFFAOYSA-N |
| INCHI | 1S/C12H8N2O2/c15-14(16)12-5-1-4-11-10(12)7-6-9-3-2-8-13(9)11/h1-8H |
| Isomeric SMILES | C1=CC2=C(C=CC3=CC=CN32)C(=C1)[N+](=O)[O-] |
| Molecular Weight | 212.21 |
| Reaxy-Rn | 1376599 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1376599&ln= |
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 | Pyrroloquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrroloquinolines |
| Alternative Parents | Nitroquinolines and derivatives Indolizines Nitroaromatic compounds Pyridines and derivatives Benzenoids Pyrroles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Nitroquinoline - Pyrroloquinoline - Indolizine - Pyrrolopyridine - Nitroaromatic compound - Pyridine - Benzenoid - Pyrrole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrroloquinolines. These are compounds containing a pyrroloquinoline moiety, which consists of a pyrrole ring fused to a quinoline. |
| External Descriptors | Not available |
| Melt Point(°C) | 140 |
|---|---|
| Molecular Weight | 212.200 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 212.059 Da |
| Monoisotopic Mass | 212.059 Da |
| Topological Polar Surface Area | 50.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 289.000 |
| 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 |
![6-Nitropyrrolo[1,2-a]quinoline - CAS No(52414-58-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/3/N349532.png)