Compound Identification
SMILES
CCC1=NC=CC(=C1)C(N)=S.CC1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1
InChIKey
InChIKey=YMNKEYXTQXWMJZ-UHFFFAOYSA-N
Formula
C26H30FN5O4S
Mass
527.62
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 Aminoquinolines and derivatives Haloquinolines Hydroquinolones Benzoxazines Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines N-methylpiperazines Alkyl aryl ethers Aryl fluorides Benzenoids Vinylogous amides Thioamides Heteroaromatic compounds Amino acids Trialkylamines Carboxylic acids Azacyclic compounds Thiocarboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Organofluorides Thiocarbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Benzoxazine - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - N-alkylpiperazine - N-methylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Vinylogous amide - Thioamide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Oxacycle - Thiocarboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxide - Amine - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - 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