General Information of the Compound
Compound ID
CP0391794
Compound Name
1-[2-(dimethylamino)ethyl]-4-phenylquinolin-2-one
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Structure
Formula
C19H20N2O
Molecular Weight
292.382
Canonical SMILES
CN(C)CCn1c2ccccc2c(cc1=O)-c1ccccc1
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InChI
InChI=1S/C19H20N2O/c1-20(2)12-13-21-18-11-7-6-10-16(18)17(14-19(21)22)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
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InChIKey
NMSFCMGAVJTZIR-UHFFFAOYSA-N
Physicochemical Property
logP
3.2301
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 71568688
SID: 163595224
ChEMBL ID
CHEMBL2332490
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)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS