General Information of the Compound
Compound ID
CP0514848
Compound Name
N-cyclopentyl-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
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Structure
Formula
C17H24N2O
Molecular Weight
272.392
Canonical SMILES
O=C(CCN1CCCc2ccccc12)NC1CCCC1
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InChI
InChI=1S/C17H24N2O/c20-17(18-15-8-2-3-9-15)11-13-19-12-5-7-14-6-1-4-10-16(14)19/h1,4,6,10,15H,2-3,5,7-9,11-13H2,(H,18,20)
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InChIKey
KQRIXGFCTRCLAY-UHFFFAOYSA-N
Physicochemical Property
logP
2.8881
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
32.34
Hydrogen Bond Donor Count
1
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: 47358375
ChEMBL ID
CHEMBL4756164
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: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 316.23 nM
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