Basic information
- Standard SMILES
N#CCN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21- InChIKey
MIWGTELELNLOLW-QGZVFWFLSA-N- Molecular formula
- C20H15ClN4O2
- Average molar mass
- 378.8 g/mol
Names & identifiers
- Preferred name
- (r)-3-(5-Chloroindole-2-carbonylamino)-1-cyanomethyl-3,4-dihydrocarbostyril
- IUPAC
- 5-chloro-N-[(3R)-1-(cyanomethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
Names & synonyms
SCHEMBL4804137MIWGTELELNLOLW-QGZVFWFLSA-N(r)-3-(5-chloroindole-2-carbonylamino)-1-cyanomethyl-3,4-dihydrocarbostyril
Database identifiers
- PubChem CID
- 87730651
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 647
Related reactions
3 records
Compound notes
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