Basic information
- Standard SMILES
CC1(C)C(=O)NC(=O)c2cc(NC(=O)NC#N)ccc21- InChIKey
QCEDEZICTXNAHO-UHFFFAOYSA-N- Molecular formula
- C13H12N4O3
- Average molar mass
- 272.26 g/mol
Names & identifiers
- Preferred name
- N-Cyano-N'-(4,4-dimethyl-1,2,3,4-tetrahydro-1,3-dioxo-7-isoquinolinyl)-urea
- IUPAC
- 1-cyano-3-(4,4-dimethyl-1,3-dioxoisoquinolin-7-yl)urea
Names & synonyms
SCHEMBL10544373QCEDEZICTXNAHO-UHFFFAOYSA-NN-Cyano-N'-(4,4-dimethyl-1,2,3,4-tetrahydro-1,3-dioxo-7-isoquinolinyl)-urea
Database identifiers
- PubChem CID
- 21242842
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 505
Related reactions
2 records
Compound notes
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