General Information of the Compound
Compound ID
CP0295398
Compound Name
N,N-dibenzyl-4-oxo-1H-quinoline-3-carboxamide
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Structure
Formula
C24H20N2O2
Molecular Weight
368.436
Canonical SMILES
O=C(N(Cc1ccccc1)Cc1ccccc1)c1c[nH]c2ccccc2c1=O
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InChI
InChI=1S/C24H20N2O2/c27-23-20-13-7-8-14-22(20)25-15-21(23)24(28)26(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-15H,16-17H2,(H,25,27)
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InChIKey
XBEAXEHFZLGHEG-UHFFFAOYSA-N
Physicochemical Property
logP
4.3707
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
53.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 1206778
ChEMBL ID
CHEMBL3354672
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: PT02042, Cystic fibrosis transmembrane conductance regulator
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 2100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 2100 nM