Basic information
- Standard SMILES
Cc1ccc(C(=O)Nc2c(NC(=O)CN(C)C)ccc3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
RRAORDVCLZAVDK-UHFFFAOYSA-N- Molecular formula
- C26H23N3O4
- Average molar mass
- 441.5 g/mol
Names & identifiers
- Preferred name
- 1-(4-Methylbenzamido)-2-[2-(dimethylamino)acetylamino]anthraquinone
- IUPAC
- N-[2-[[2-(dimethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-4-methylbenzamide
Names & synonyms
SCHEMBL2268237CHEMBL1927891RRAORDVCLZAVDK-UHFFFAOYSA-N1-(4-methylbenzamido)-2-[2-(dimethylamino)acetylamino]anthraquinone1-(4-methylbenzamido)-2-[2-(dimethylamino)acetylamino]-anthraquinone
Database identifiers
- PubChem CID
- 53374585
- ChEMBL
CHEMBL1927891
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 773
Related reactions
2 records
Compound notes
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