Basic information
- Standard SMILES
CN(C)C(=O)Nc1ccc2c(c1)C(=O)NC(=O)C2(C)C- InChIKey
WGHWCGKCJNZVMI-UHFFFAOYSA-N- Molecular formula
- C14H17N3O3
- Average molar mass
- 275.3 g/mol
Names & identifiers
- Preferred name
- N,N-Dimethyl-N'-(4,4-dimethyl-1,2,3,4-tetrahydro-1,3-dioxo-7-isoquinolinyl)-urea
- IUPAC
- 3-(4,4-dimethyl-1,3-dioxoisoquinolin-7-yl)-1,1-dimethylurea
Names & synonyms
SCHEMBL10545821WGHWCGKCJNZVMI-UHFFFAOYSA-NN,N-Dimethyl-N'-(4,4-dimethyl-1,2,3,4-tetrahydro-1,3-dioxo-7-isoquinolinyl)-urea
Database identifiers
- PubChem CID
- 21242848
- Nikkaji
- J707.333J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 445
Related reactions
2 records
Compound notes
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