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

HCID 13823295

Basic information

Standard SMILES
CN1CCN(C2=Nc3ccccc3N3CCc4cc(Cl)cc2c43)CC1
InChIKey
GSAOUOJGXFZFRU-UHFFFAOYSA-N
Molecular formula
C20H21ClN4
Average molar mass
352.9 g/mol

Names & identifiers

Preferred name
4-Chloro-6-(4-methyl-1-piperazinyl)-1,2,dihydrobenzo[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-2,4,6,8,10,12,14(17)-heptaene

Names & synonyms

SCHEMBL10624311GSAOUOJGXFZFRU-UHFFFAOYSA-N4-chloro-6-(4-methyl-1-piperazinyl)-1,2,-dihydrobenzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepine4-chloro-6-(4-methyl-1-piperazinyl)-1,2,dihydrobenzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepine4-Chloro-6-(4-methyl-1-piperazinyl)-1,2-dihydrobenzo[b]pyrrolo-[3,2,1-jk][1,4]benzodiazepine4-Chloro-6-(4-methyl-1-piperazinyl)-1,2-dihydrobenzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepine6-(4-Methyl-1-piperazinyl)-4-chloro-1,2-dihydrobenzo[b]-pyrrolo[3,2,1-jk][1,4]benzodiazepine

Database identifiers

PubChem CID
13823295

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
25

Related reactions

12 records

Linked notes

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