Basic information
- Standard SMILES
CNC(=O)Nc1ccc2c(c1)C(=O)NC(=O)C2(C)C- InChIKey
FBBRWCMCKMCKPM-UHFFFAOYSA-N- Molecular formula
- C13H15N3O3
- Average molar mass
- 261.28 g/mol
- Monoisotopic mass
- 261.11134135
Names & identifiers
- Preferred name
- N-Methyl-N'-(4,4-dimethyl-1,2,3,4-tetrahydro-1,3-dioxo-7-isoquinolinyl)-urea
- IUPAC
- 1-(4,4-dimethyl-1,3-dioxoisoquinolin-7-yl)-3-methylurea
Names & synonyms
N-Methyl-N'-(4,4-dimethyl-1,2,3,4-tetrahydro-1,3-dioxo-7-isoquinolinyl)-ureaSCHEMBL10540170FBBRWCMCKMCKPM-UHFFFAOYSA-N1-(4,4-dimethyl-1,3-dioxoisoquinolin-7-yl)-3-methylurea
Database identifiers
- PubChem CID
- 10445362
- Nikkaji
- J707.329A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 419
Related reactions
2 records
Compound notes
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