(S)-2-(7-phenyl-1-oxo-1H-isoquinolin-2-yl)-butyric acid
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Basic information
- Standard SMILES
CC[C@@H](C(=O)O)n1ccc2ccc(-c3ccccc3)cc2c1=O- InChIKey
VXMMDUALZJRENG-KRWDZBQOSA-N- Molecular formula
- C19H17NO3
- Average molar mass
- 307.3 g/mol
Names & identifiers
- Preferred name
- (S)-2-(7-phenyl-1-oxo-1H-isoquinolin-2-yl)-butyric acid
- IUPAC
- (2S)-2-(1-oxo-7-phenylisoquinolin-2-yl)butanoic acid
Names & synonyms
SCHEMBL79136VXMMDUALZJRENG-KRWDZBQOSA-N(S)-2-(7-phenyl-1-oxo-1H-isoquinolin-2-yl)-butyric acid
Database identifiers
- PubChem CID
- 57725374
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
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Related reactions
2 records
Compound notes
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