General Information of the Compound
Compound ID
CP0391795
Compound Name
1-(morpholin-2-ylmethyl)-4-phenylquinolin-2-one
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Structure
Formula
C20H20N2O2
Molecular Weight
320.392
Canonical SMILES
O=c1cc(-c2ccccc2)c2ccccc2n1CC1CNCCO1
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InChI
InChI=1S/C20H20N2O2/c23-20-12-18(15-6-2-1-3-7-15)17-8-4-5-9-19(17)22(20)14-16-13-21-10-11-24-16/h1-9,12,16,21H,10-11,13-14H2
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InChIKey
NCANIKGDAMBPHY-UHFFFAOYSA-N
Physicochemical Property
logP
2.6569
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
43.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 71566843
SID: 163593263
ChEMBL ID
CHEMBL2332477
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: PT02118, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 260 nM
   TI
   LI
   LO
   TS
2
EC50 = 1200 nM
   TI
   LI
   LO
   TS