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Basic information
- Standard SMILES
CN(C)CCN1C(=O)N(CCN(C)C)c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c23- InChIKey
MZSNQZLDEPAPTH-UHFFFAOYSA-N- Molecular formula
- C22H26N6O4
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.20155333
Names & identifiers
- Preferred name
- 1,3-Bis(2-(dimethylamino)ethyl)-10-hydroxy-6-(hydroxy(oxido)amino)-1H-pyrimido[4,5,6-kl]acridin-2(3H)-one hydrochloride
- IUPAC
- 14,16-bis[2-(dimethylamino)ethyl]-4-hydroxy-10-nitro-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaen-15-one
Names & synonyms
NSC691846CHEMBL2009387NCI60_032979bis(2-dimethylaminoethyl)-hydroxy-nitro-[?]one1,3-Bis(2-(dimethylamino)ethyl)-10-hydroxy-6-(hydroxy(oxido)amino)-1H-pyrimido[4,5,6-kl]acridin-2(3H)-one hydrochloride
Database identifiers
- PubChem CID
- 392052
- ChEMBL
CHEMBL2009387
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 700
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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