5-[4-(4-chloro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester

HCID 69740683
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4ccc(Cl)cc4)c32)c1CCCN1CCN(C)CC1
InChIKey
IDZYIGNQESDESB-UHFFFAOYSA-N
Molecular formula
C31H35ClN4O3
Average molar mass
547.1 g/mol

Names & identifiers

Preferred name
5-[4-(4-chloro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester
IUPAC
ethyl 5-[[4-(4-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylate

Names & synonyms

SCHEMBL6319593IDZYIGNQESDESB-UHFFFAOYSA-N5-[4-(4-chloro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester

Database identifiers

PubChem CID
69740683

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
77.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

Loading…