General Information of the Compound
Compound ID
CP0040524
Compound Name
4-phenyl-1-(8-piperazin-1-ylquinolin-3-yl)pyrrolidin-2-one
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Structure
Formula
C23H24N4O
Molecular Weight
372.472
Canonical SMILES
O=C1CC(CN1c1cnc2c(cccc2c1)N1CCNCC1)c1ccccc1
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InChI
InChI=1S/C23H24N4O/c28-22-14-19(17-5-2-1-3-6-17)16-27(22)20-13-18-7-4-8-21(23(18)25-15-20)26-11-9-24-10-12-26/h1-8,13,15,19,24H,9-12,14,16H2
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InChIKey
GIQNFCNDIZCJAU-UHFFFAOYSA-N
Physicochemical Property
logP
3.1649
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
48.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 86302554
ChEMBL ID
CHEMBL3260795
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 2.6 nM
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