2a-[4-{4-(2-Methoxyphenyl)piperazinyl}butyl]-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one

HCID 9845006

Basic information

Standard SMILES
COc1ccccc1N1CCN(CCCCC23CCCc4cccc(c42)NC3=O)CC1
InChIKey
MUBNQYJQCBLICS-UHFFFAOYSA-N
Molecular formula
C26H33N3O2
Average molar mass
419.6 g/mol

Names & identifiers

Preferred name
2a-[4-{4-(2-Methoxyphenyl)piperazinyl}butyl]-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one
IUPAC
2a-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one

Names & synonyms

CHEMBL12702SCHEMBL6160952MUBNQYJQCBLICS-UHFFFAOYSA-NBDBM504037772a-[4-{4-(2-Methoxyphenyl)piperazinyl}butyl]-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one2a-[4-{4-(2-Methoxyphenyl)piperazinyl}butyl]-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H) -one

Database identifiers

PubChem CID
9845006
ChEMBL
CHEMBL12702
Nikkaji
J1.324.462F

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
44.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
31

Related reactions

5 records

Compound notes

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