4-Chloro-6-(4-methyl-1-piperazinyl)benzo[b]pyrrolo[3,2,1-jk]-[1,4]benzodiazepine

HCID 13823301

Basic information

Standard SMILES
CN1CCN(C2=Nc3ccccc3-n3ccc4cc(Cl)cc2c43)CC1
InChIKey
XXLIFYXIBCWZDL-UHFFFAOYSA-N
Molecular formula
C20H19ClN4
Average molar mass
350.8 g/mol

Names & identifiers

Preferred name
4-Chloro-6-(4-methyl-1-piperazinyl)benzo[b]pyrrolo[3,2,1-jk]-[1,4]benzodiazepine
IUPAC
12-chloro-9-(4-methylpiperazin-1-yl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,8,10(17),11,13,15-octaene

Names & synonyms

SCHEMBL10621387XXLIFYXIBCWZDL-UHFFFAOYSA-N4-Chloro-6-(4-methyl-1-piperazinyl)benzo[b]pyrrolo[3,2,1-jk]-[1,4]benzodiazepine4-Chloro-6-(4-methyl-1-piperazinyl)benzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepine

Database identifiers

PubChem CID
13823301

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
25

Related reactions

5 records

Linked notes

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