Compound Identification
SMILES
CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1Br)C(O)=O
InChIKey
InChIKey=ITJGDILEFQGCSS-UHFFFAOYSA-N
Formula
C18H19BrFN3O3
Mass
424.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Quinolines and derivatives
- Subclass Quinoline carboxylic acids
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Class
Quinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinoline carboxylic acids
Intermediate Tree Nodes
Not available
Direct Parent
Quinoline carboxylic acids
Alternative Parents
N-arylpiperazines Fluoroquinolones Aminoquinolines and derivatives Hydroquinolones Haloquinolines Hydroquinolines Pyridinecarboxylic acids 2-bromoanilines Dialkylarylamines N-methylpiperazines Aryl bromides Aryl fluorides Vinylogous amides Heteroaromatic compounds Trialkylamines Amino acids Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organobromides Organooxygen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - 2-bromoaniline - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Benzenoid - Aryl halide - Aryl fluoride - Piperazine - Aryl bromide - Pyridine - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
External Descriptors
Not available