Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(C#N)cc3ccc(Cl)cc23)C1- InChIKey
OEWNOANYHYOWHI-HNNXBMFYSA-N- Molecular formula
- C19H20ClN3O3
- Average molar mass
- 373.8 g/mol
Names & identifiers
- Preferred name
- (S)-tert-butyl 3-((7-chloro-3-cyanoisoquinolin-1-yl)oxy)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (3S)-3-(7-chloro-3-cyanoisoquinolin-1-yl)oxypyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL16008511OEWNOANYHYOWHI-HNNXBMFYSA-N(S)-tert-butyl 3-((7-chloro-3-cyanoisoquinolin-1-yl)oxy)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 90387178
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 570
Related reactions
2 records
Compound notes
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