2-(2-(Dimethylamino)ethyl)-6-((2-(1-piperazinyl)ethyl)amino)-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione hydrochloride
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Basic information
- Standard SMILES
CN(C)CCn1c(=O)c2ccc(NCCN3CCNCC3)c3c(=O)c4ccccc4n(c1=O)c23- InChIKey
BZNWQVPGRREPMU-UHFFFAOYSA-N- Molecular formula
- C25H30N6O3
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.23793884
Names & identifiers
- Preferred name
- 2-(2-(Dimethylamino)ethyl)-6-((2-(1-piperazinyl)ethyl)amino)-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione hydrochloride
- IUPAC
- 15-[2-(dimethylamino)ethyl]-10-(2-piperazin-1-ylethylamino)-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione
Names & synonyms
NSC691850CHEMBL418930NCI60_0329832-dimethylaminoethyl-(2-piperazin-1-ylethylamino)[?]trione2-(2-(Dimethylamino)ethyl)-6-((2-(1-piperazinyl)ethyl)amino)-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione hydrochloride
Database identifiers
- PubChem CID
- 392060
- ChEMBL
CHEMBL418930- Nikkaji
- J690.821G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 785
Related reactions
0 records
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Compound notes
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