Basic information
- CAS
54931-70-3- Standard SMILES
Cc1c(N)c2ccccc2c(=O)n1C- InChIKey
JHAQZQMEPUHHSO-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Names & identifiers
- Preferred name
- 4-Amino-2,3-dimethyl-1(2H)-isoquinolinone
- IUPAC
- 4-amino-2,3-dimethylisoquinolin-1-one
Names & synonyms
4-Amino-2,3-dimethyl-1(2H)-isoquinolinone4-amino-2,3-dimethylisoquinolin-1-one501JG3P9RX54931-70-3NSC3380451(2H)-Isoquinolinone, 4-amino-2,3-dimethyl-FJ80X0KG25767571-82-44-Amino-2,3-dimethylisoquinolin-1-one hydrochlorideNSC 338045UNII-501JG3P9RXUNII-FJ80X0KG25
Show more names
DTXSID302034464-amino-2,3-dimethyl-isoquinolin-1-one4-Amino-2,3-dimethylisoquinolin-1(2H)-one
Database identifiers
- CAS
54931-70-3、767571-82-4- PubChem CID
- 433771
- DTXSID
DTXSID30203446- UNII
- 501JG3P9RX
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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