8-Methyl-7-(oxaloamino)-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
Basic information
- CAS
60722-51-2- Standard SMILES
Cc1c(NC(=O)C(=O)O)ccc2c(=O)cc(C(=O)O)[nH]c12- InChIKey
XMZYYCDEPGCSAQ-UHFFFAOYSA-N- Molecular formula
- C13H10N2O6
- Average molar mass
- 290.23 g/mol
- Monoisotopic mass
- 290.05388604
Names & identifiers
- Preferred name
- 8-Methyl-7-(oxaloamino)-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
- IUPAC
- 8-methyl-7-(oxaloamino)-4-oxo-1H-quinoline-2-carboxylic acid
Names & synonyms
60722-51-2NSC291314CHEMBL3249652DTXSID903150348-Methyl-7-(oxaloamino)-4-oxo-1,4-dihydroquinoline-2-carboxylic acidNSC-291314
Database identifiers
- CAS
60722-51-2- PubChem CID
- 324801
- DTXSID
DTXSID90315034- ChEMBL
CHEMBL3249652
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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