Compound Identification
SMILES
COC1=CC=CC(CCN2C(N)=C(C(O)=O)C3=C(C=C(C=C3)[NH+](O)[O-])C2=O)=C1
InChIKey
InChIKey=PNDJJSVKTOHGTM-UHFFFAOYSA-N
Formula
C19H19N3O6
Mass
385.376
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass 1-phenethylisoquinolines
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
1-phenethylisoquinolines
Intermediate Tree Nodes
Not available
Direct Parent
1-phenethylisoquinolines
Alternative Parents
Isoquinolones and derivatives Pyridinecarboxylic acids Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aminopyridines and derivatives Pyridinones Vinylogous amides Heteroaromatic compounds Amino acids Lactams N-organohydroxylamines Carboxylic acids Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenethylisoquinoline - Isoquinolone - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Aminopyridine - Alkyl aryl ether - Pyridinone - Pyridine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Lactam - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - N-organohydroxylamine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-phenethylisoquinolines. These are organic aromatic compounds containing a quinoline ring system substituted at the 1-position by a phenethyl group.
External Descriptors
Not available