Compound Identification
SMILES
CCC1=NC=CC(=C1)C(N)=S.COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N1CCNC(C)C1)C1CC1
InChIKey
InChIKey=RRXTZZWTNNCHQK-UHFFFAOYSA-N
Formula
C27H32FN5O4S
Mass
541.64
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
Fluoroquinolones N-arylpiperazines Haloquinolines Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Methoxyanilines Pyridinecarboxylic acids Anisoles Dialkylarylamines Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Vinylogous amides Thioamides Amino acids Carboxylic acids Thiocarboxylic acid amides Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organofluorides Thiocarbonyl compounds
Molecular Framework
Not available
Substituents
Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Methoxyaniline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Anisole - Phenol ether - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Pyridine - Thioamide - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Secondary amine - Thiocarboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - Organic oxygen compound - 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