quinoline 2

Ligand id: 8599

Name: quinoline 2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 51.22
Molecular weight 398.18
XLogP 6.47
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
tert-butyl N-[(2S)-2-(2,5-difluorophenyl)-3-quinolin-3-ylpropyl]carbamate
Database Links
PubChem CID 91801114
RCSB PDB Ligand 2PJ
Search Google for chemical match using the InChIKey IRFHMTUHTBSEBK-QGZVFWFLSA-N
Search Google for chemicals with the same backbone IRFHMTUHTBSEBK
Search UniChem for chemical match using the InChIKey IRFHMTUHTBSEBK-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone IRFHMTUHTBSEBK
SynPHARM 82445 (in complex with insulin degrading enzyme)