Compound Identification
SMILES
COCC1=C2C(NC3=C2C(OC2=NC=C(Cl)C=C2)=CC=C3)=CN=C1C(=O)OC(C)C
InChIKey
InChIKey=QKMCPSMIDWTAES-UHFFFAOYSA-N
Formula
C22H20ClN3O4
Mass
425.87
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Pyridoindoles
- Level 5 Beta carbolines
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Subclass
Pyridoindoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyridoindoles
Intermediate Tree Nodes
Not available
Direct Parent
Beta carbolines
Alternative Parents
Diarylethers Pyridinecarboxylic acids Indoles Phenol ethers Aryl chlorides Pyrroles Heteroaromatic compounds Carboxylic acid esters Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-carboline - Diaryl ether - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Indole - Phenol ether - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Azacycle - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
External Descriptors
Not available