6-chloro-5-{4-[2-(piperazin-1-yl)ethoxy]phenyl}-1H-indole-3-carboxylic acid

HCID 86698685
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Basic information

Standard SMILES
O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCN4CCNCC4)cc3)cc12
InChIKey
FFIZKPZOJYZDAS-UHFFFAOYSA-N
Molecular formula
C21H22ClN3O3
Average molar mass
399.9 g/mol

Names & identifiers

Preferred name
6-chloro-5-{4-[2-(piperazin-1-yl)ethoxy]phenyl}-1H-indole-3-carboxylic acid
IUPAC
6-chloro-5-[4-(2-piperazin-1-ylethoxy)phenyl]-1H-indole-3-carboxylic acid

Names & synonyms

CHEMBL3951962SCHEMBL15301005FFIZKPZOJYZDAS-UHFFFAOYSA-NBDBM237966DB-197194US9394285, 486-Chloro-5-[4-[2-(1-piperazinyl)ethoxy]phenyl]-1h-indole-3-carboxylic acid6-chloro-5-{4-[2-(piperazin-1-yl)ethoxy]phenyl}-1H-indole-3-carboxylic acid1467058-37-2

Database identifiers

PubChem CID
86698685
ChEMBL
CHEMBL3951962

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
77.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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6-chloro-5-{4-[2-(piperazin-1-yl)ethoxy]phenyl}-1H-indole-3-carboxylic acid (HCID 86698685)｜Huagongshe