General Information of the Compound
Compound ID
CP0407964
Compound Name
N-methyl-4-propyl-N-quinolin-3-ylbenzamide
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Structure
Formula
C20H20N2O
Molecular Weight
304.393
Canonical SMILES
CCCc1ccc(cc1)C(=O)N(C)c1cnc2ccccc2c1
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InChI
InChI=1S/C20H20N2O/c1-3-6-15-9-11-16(12-10-15)20(23)22(2)18-13-17-7-4-5-8-19(17)21-14-18/h4-5,7-14H,3,6H2,1-2H3
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InChIKey
QMMSPXUCFUCRQC-UHFFFAOYSA-N
Physicochemical Property
logP
4.4639
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
33.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 44450337
ChEMBL ID
CHEMBL258916
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
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