General Information of the Compound
Compound ID
CP0487794
Compound Name
N-(4-ethylphenyl)-4-oxo-1H-quinoline-3-carboxamide
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Structure
Formula
C18H16N2O2
Molecular Weight
292.338
Canonical SMILES
CCc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1
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InChI
InChI=1S/C18H16N2O2/c1-2-12-7-9-13(10-8-12)20-18(22)15-11-19-16-6-4-3-5-14(16)17(15)21/h3-11H,2H2,1H3,(H,19,21)(H,20,22)
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InChIKey
VVAFRGHUXOWJDW-UHFFFAOYSA-N
Physicochemical Property
logP
3.3428
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 17715310
ChEMBL ID
CHEMBL3356631
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 = 800 nM
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