Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc3ccnc(Cl)c3c2)C1=O- InChIKey
LRUYXYKKASPANN-OAHLLOKOSA-N- Molecular formula
- C19H22ClN3O3
- Average molar mass
- 375.8 g/mol
Names & identifiers
- Preferred name
- [1-(1-Chloroisoquinolin-7-ylmethyl)-2-oxopyrrolidin-3-(R)-yl]carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(3R)-1-[(1-chloroisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate
Names & synonyms
SCHEMBL7540796LRUYXYKKASPANN-OAHLLOKOSA-N[1-(1-Chloroisoquinolin-7-ylmethyl)-2-oxopyrrolidin-3-(R)-yl]carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86757283
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 537
Related reactions
1 records
Compound notes
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