Basic information
- Standard SMILES
COc1cc2ccnc(Cl)c2cc1CN1CC[C@H](NC(=O)OC(C)(C)C)C1=O- InChIKey
ZWFHYRSGEGPXMO-HNNXBMFYSA-N- Molecular formula
- C20H24ClN3O4
- Average molar mass
- 405.9 g/mol
Names & identifiers
- Preferred name
- [1-(1-Chloro-6-methoxyisoquinolin-7-ylmethyl)-2-oxopyrrolidin-3-(S)-yl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(3S)-1-[(1-chloro-6-methoxyisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate
Names & synonyms
SCHEMBL7219998ZWFHYRSGEGPXMO-HNNXBMFYSA-N[1-(1-Chloro-6-methoxyisoquinolin-7-ylmethyl)-2-oxopyrrolidin-3-(S)-yl]-carbamic acid tert-butyl ester[1-(1-Chloro-6-methoxyisoquinolin-7ylmethyl)-2-oxopyrrolidin-3-(S)-yl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 54569475
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 582
Related reactions
1 records
Compound notes
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