General Information of the Compound
Compound ID
CP0398461
Compound Name
4-oxo-N-phenyl-1H-quinoline-3-carboxamide
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Structure
Formula
C16H12N2O2
Molecular Weight
264.284
Canonical SMILES
O=C(Nc1ccccc1)c1c[nH]c2ccccc2c1=O
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InChI
InChI=1S/C16H12N2O2/c19-15-12-8-4-5-9-14(12)17-10-13(15)16(20)18-11-6-2-1-3-7-11/h1-10H,(H,17,19)(H,18,20)
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InChIKey
UWRLVHYLRTYGOM-UHFFFAOYSA-N
Physicochemical Property
logP
2.7804
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 17715303
ChEMBL ID
CHEMBL3356626
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 = 1300 nM
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