1,1-Dimethylethyl 2-{[(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)amino]methyl}-1-pyrrolidinecarboxylate

HCID 76540985
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc2c(N3CCN(CCc4cccc(NCC5CCCN5C(=O)OC(C)(C)C)c4)CC3)cccc2n1
InChIKey
REHRGTYECZLSGV-UHFFFAOYSA-N
Molecular formula
C32H43N5O2
Average molar mass
529.7 g/mol

Names & identifiers

Preferred name
1,1-Dimethylethyl 2-{[(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)amino]methyl}-1-pyrrolidinecarboxylate
IUPAC
tert-butyl 2-[[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]anilino]methyl]pyrrolidine-1-carboxylate

Names & synonyms

REHRGTYECZLSGV-UHFFFAOYSA-N1,1-Dimethylethyl 2-{[(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)amino]methyl}-1-pyrrolidinecarboxylate

Database identifiers

PubChem CID
76540985

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
60.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
39

Related reactions

8 records
New reaction record

Compound notes

Loading…