Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCN(CC)CCCNc1ccc([N+](=O)[O-])c2nc3ccc(OC)cc3c(N)c12- InChIKey
XMXJZSOGXBXAQL-UHFFFAOYSA-N- Molecular formula
- C21H27N5O3
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.21138974
Names & identifiers
- Preferred name
- 1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine
- IUPAC
- 1-N-[3-(diethylamino)propyl]-7-methoxy-4-nitroacridine-1,9-diamine
Names & synonyms
NSC658368CHEMBL2004174NSC-658368NCI60_020497N',N'-diethyl-N-(9-imino-7-methoxy-4-nitro-10H-acridin-1-yl)propane-1,3-diamine1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine
Database identifiers
- PubChem CID
- 377166
- ChEMBL
CHEMBL2004174- Nikkaji
- J394.341K
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…