4-anilino-1-oxo-2H-isoquinoline-3-carboxylic acid
Basic information
- CAS
7509-17-3- Standard SMILES
O=C(O)c1[nH]c(=O)c2ccccc2c1Nc1ccccc1- InChIKey
OJXHEZPSOZLUIE-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.08479225
Names & identifiers
- Preferred name
- 4-anilino-1-oxo-2H-isoquinoline-3-carboxylic acid
- IUPAC
- 4-anilino-1-oxo-2H-isoquinoline-3-carboxylic acid
Names & synonyms
NSC4072617509-17-3DTXSID70324624NSC-4072614-Anilino-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid
Database identifiers
- CAS
7509-17-3- PubChem CID
- 348144
- DTXSID
DTXSID70324624
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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