Basic information
- Standard SMILES
COc1ccc2c(=O)[nH]c(-c3ccc(C(C)(C)C)cc3)cc2c1- InChIKey
ZHPADSRAIPSGBJ-UHFFFAOYSA-N- Molecular formula
- C20H21NO2
- Average molar mass
- 307.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-(tert-butyl)phenyl)-6-methoxyisoquinolin-1(2H)-one
- IUPAC
- 3-(4-tert-butylphenyl)-6-methoxy-2H-isoquinolin-1-one
Names & synonyms
3-(4-(tert-butyl)phenyl)-6-methoxyisoquinolin-1(2H)-oneSCHEMBL13729788ZHPADSRAIPSGBJ-UHFFFAOYSA-NDB-1647693-(4-(tert-butyl)-phenyl)-6-methoxyisoquinolin-1(2H)-one1409965-01-0
Database identifiers
- PubChem CID
- 70979018
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Related reactions
2 records
Compound notes
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