Basic information
- Standard SMILES
COc1ccc(-c2[nH]c(=O)c3cc(OC)ccc3c2N2CCOCC2)cc1- InChIKey
FEMDDGWJYCCTHQ-UHFFFAOYSA-N- Molecular formula
- C21H22N2O4
- Average molar mass
- 366.4 g/mol
Names & identifiers
- Preferred name
- 7-methoxy-3-(4-methoxyphenyl)-4-morpholinoisoquinolin-1(2H)-one
- IUPAC
- 7-methoxy-3-(4-methoxyphenyl)-4-morpholin-4-yl-2H-isoquinolin-1-one
Names & synonyms
SCHEMBL12323807FEMDDGWJYCCTHQ-UHFFFAOYSA-N7-methoxy-3-(4-methoxyphenyl)-4-morpholinoisoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 53379473
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 565
Related reactions
1 records
Compound notes
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