General Information of the Compound
Compound ID
CP0505208
Compound Name
4-propyl-N-quinolin-3-ylbenzamide
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Synonyms
4-propyl-N-(3-quinolyl)benzamide
4-propyl-N-(quinolin-3-yl)benzamide
4-propyl-N-quinolin-3-ylbenzamide
AC1N8MZ4
AKOS001583305
BDBM50376280
CHEMBL259600
ChemDiv2_003456
EU-0034321
HMS1378N02
MCULE-1509884615
Oprea1_836743
SCHEMBL846554
SR-01000396314
ZINC188371
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Structure
Formula
C19H18N2O
Molecular Weight
290.366
Canonical SMILES
CCCc1ccc(cc1)C(=O)Nc1cnc2ccccc2c1
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InChI
InChI=1S/C19H18N2O/c1-2-5-14-8-10-15(11-9-14)19(22)21-17-12-16-6-3-4-7-18(16)20-13-17/h3-4,6-13H,2,5H2,1H3,(H,21,22)
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InChIKey
ACMQNRGXOSFSMZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.4396
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
41.99
Hydrogen Bond Donor Count
1
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: 4298023
ChEMBL ID
CHEMBL259600
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)  2
1
IC50 = 130 nM
   TI
   LI
   LO
   TS
2
Ki = 60 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-propyl-N-(quinolin-3-yl)benzamide )
Drug Name 4-propyl-N-(quinolin-3-yl)benzamide
Target(s)
Transient receptor potential cation channel V1 (TRPV1)
Inhibitor