3-Acetyl-2-oxo-1,2-dihydroquinoline-4-carboxylic acid
Basic information
- CAS
84443-15-2- Standard SMILES
CC(=O)c1c(C(=O)O)c2ccccc2[nH]c1=O- InChIKey
YZLDZYNOJQCZIP-UHFFFAOYSA-N- Molecular formula
- C12H9NO4
- Average molar mass
- 231.2 g/mol
- Monoisotopic mass
- 231.05315777
Names & identifiers
- Preferred name
- 3-Acetyl-2-oxo-1,2-dihydroquinoline-4-carboxylic acid
- IUPAC
- 3-acetyl-2-oxo-1H-quinoline-4-carboxylic acid
- English name
- 3-ACETYL-2-OXO-1,2-DIHYDRO-QUINOLINE-4-CARBOXYLIC ACID
- Molecular formula
- C12H9NO4
- Molecular weight
- 231.2
Names & synonyms
3-acetyl-2-oxo-1,2-dihydroquinoline-4-carboxylic acid84443-15-23-acetyl-2-hydroxyquinoline-4-carboxylic acid3-acetyl-2-oxo-1H-quinoline-4-carboxylic acidMLS000703217CHEMBL1481738SCHEMBL29950909DTXSID301331130HMS2768H14MFCD00663634STL372788STL514310
Show more names
3-ACETYL-2-OXO-1,2-DIHYDRO-QUINOLINE-4-CARBOXYLIC ACID
AKOS000582989AKOS037491964SMR000273681VS-08996CS-0322360ST500042143-acetyl-2-oxohydroquinoline-4-carboxylic acidSR-01000312837
Database identifiers
- CAS
84443-15-2- PubChem CID
- 736783
- DTXSID
DTXSID301331130- ChEMBL
CHEMBL1481738
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 424
Experimental & physicochemical properties
Solubility34 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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