Basic information
- Standard SMILES
CC(C)(NC(=O)c1nc(Cl)c2ccccc2c1O)C(=O)O- InChIKey
OQXAQWTZXOYUDO-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O4
- Average molar mass
- 308.71 g/mol
Names & identifiers
- Preferred name
- 2-[(1-Chloro-4-hydroxy-isoquinoline-3-carbonyl)-amino]-2-methyl-propionic acid
- IUPAC
- 2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]-2-methylpropanoic acid
Names & synonyms
SCHEMBL523229OQXAQWTZXOYUDO-UHFFFAOYSA-N2-[(1-Chloro-4-hydroxy-isoquinoline-3-carbonyl)-amino]-2-methyl-propionic acid
Database identifiers
- PubChem CID
- 11449705
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 429
Related reactions
8 records
Compound notes
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