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

HCID 69740825

Basic information

Standard SMILES
CCOC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4ccccc4)c32)c1CCCN1CCN(C)CC1
InChIKey
HNIDAFQOCOGGNC-UHFFFAOYSA-N
Molecular formula
C31H36N4O3
Average molar mass
512.6 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL6319978HNIDAFQOCOGGNC-UHFFFAOYSA-N2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-5-(2 -oxo-4-phenyl-1,2-dihydro-indol-3-ylidenemethyl)-1 H-pyrrole-3-carboxylic acid ethyl ester2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-5-(2-oxo-4-phenyl-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-3-carboxylic acid ethyl ester

Database identifiers

PubChem CID
69740825

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
77.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
38

Related reactions

3 records

Compound notes

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