7-Acetyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
Basic information
- CAS
63463-21-8- Standard SMILES
CC(=O)c1ccc2c(=O)c(C(=O)O)c[nH]c2c1- InChIKey
LPSWUKNDSMXKRO-UHFFFAOYSA-N- Molecular formula
- C12H9NO4
- Average molar mass
- 231.2 g/mol
- Monoisotopic mass
- 231.05315777
Names & identifiers
- Preferred name
- 7-Acetyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
- IUPAC
- 7-acetyl-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylicacid,7-acetyl-4-hydroxy-(9CI)
- Molecular formula
- C12H9NO4
- Molecular weight
- 231.2
Names & synonyms
51726-78-463463-21-87-acetyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-Acetyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid7-acetyl-4-oxo-1H-quinoline-3-carboxylic acid7-acetyl-4-hydroxyquinoline-3-carboxylic acidC12H9NO43-Quinolinecarboxylicacid,7-acetyl-4-hydroxy-(9CI)CHEMBL141025MFCD098613164756AENSC307163
Show more names
7-Acetyl-4-hydroxy-quinoline-3-carboxylic acid
3-Quinolinecarboxylic acid, 7-acetyl-4-hydroxy-SCHEMBL2050601SCHEMBL29952565SCHEMBL29953772DTXSID10316821BDBM50404713AKOS002391415AKOS005141876
Database identifiers
- CAS
63463-21-8- PubChem CID
- 328529
- DTXSID
DTXSID10316821- ChEMBL
CHEMBL141025
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
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Related reactions
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Compound notes
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