Basic information
- Standard SMILES
COc1cc2c(CC(=O)O)cnc(C)c2cc1OC- InChIKey
UWMGTMHNHREIER-UHFFFAOYSA-N- Molecular formula
- C14H15NO4
- Average molar mass
- 261.27 g/mol
Names & identifiers
- Preferred name
- (6,7-Dimethoxy-1-methyl-isoquinolin-4-yl)-acetic acid
- IUPAC
- 2-(6,7-dimethoxy-1-methylisoquinolin-4-yl)acetic acid
Names & synonyms
SCHEMBL4803200UWMGTMHNHREIER-UHFFFAOYSA-N(6,7-dimethoxy-1-methyl-isoquinolin4-yl)-acetic acid(6,7-dimethoxy-1-methyl-isoquinolin-4-yl)-acetic acid
Database identifiers
- PubChem CID
- 22226535
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Related reactions
3 records
Compound notes
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