Basic information
- Standard SMILES
COc1ccc2cc(-c3cccc(Cl)c3)n(CC(=O)NC(C)C)c(=O)c2c1- InChIKey
UPNNFJXSOCYJTI-UHFFFAOYSA-N- Molecular formula
- C21H21ClN2O3
- Average molar mass
- 384.9 g/mol
Names & identifiers
- Preferred name
- 2-[3-(3-chlorophenyl)-7-methoxy-1-oxo-1H-isoquinolin-2-yl]-N-isopropylacetamide
- IUPAC
- 2-[3-(3-chlorophenyl)-7-methoxy-1-oxoisoquinolin-2-yl]-N-propan-2-ylacetamide
Names & synonyms
SCHEMBL1687136UPNNFJXSOCYJTI-UHFFFAOYSA-N2-[3-(3-chlorophenyl)-7-methoxy-1-oxo-1H-isoquinolin-2-yl]-N-isopropylacetamide
Database identifiers
- PubChem CID
- 59684252
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 592
Related reactions
3 records
Compound notes
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