General Information of the Compound
Compound ID
CP0405366
Compound Name
7-(3-(methoxymethyl)phenyl)-2-methylquinoline
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Synonyms
7-(3-(methoxymethyl)phenyl)-2-methylquinoline
CHEMBL231985
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Structure
Formula
C18H17NO
Molecular Weight
263.34
Canonical SMILES
COCc1cccc(c1)-c1ccc2ccc(C)nc2c1
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InChI
InChI=1S/C18H17NO/c1-13-6-7-15-8-9-17(11-18(15)19-13)16-5-3-4-14(10-16)12-20-2/h3-11H,12H2,1-2H3
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InChIKey
JADKCVGREWVUKV-UHFFFAOYSA-N
Physicochemical Property
logP
4.35662
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
22.12
Hydrogen Bond Donor Count
0
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: 44432664
ChEMBL ID
CHEMBL231985
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5800 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 7-(3-(methoxymethyl)phenyl)-2-methylquinoline )
Drug Name 7-(3-(methoxymethyl)phenyl)-2-methylquinoline
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor