General Information of the Compound
Compound ID
CP0059925
Compound Name
4-methoxy-2-(3-methoxyphenyl)quinazoline
    Show/Hide
Structure
Formula
C16H14N2O2
Molecular Weight
266.3
Canonical SMILES
COc1cccc(c1)-c1nc(OC)c2ccccc2n1
    Show/Hide
InChI
InChI=1S/C16H14N2O2/c1-19-12-7-5-6-11(10-12)15-17-14-9-4-3-8-13(14)16(18-15)20-2/h3-10H,1-2H3
    Show/Hide
InChIKey
JVKZOMRKPPPPJU-UHFFFAOYSA-N
Physicochemical Property
logP
3.314
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
44.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 46925833
ChEMBL ID
CHEMBL3822473
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: PT02265, Aryl hydrocarbon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 7300 nM
   TI
   LI
   LO
   TS
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 > 3000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03733, Nuclear receptor subfamily 1 group I member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 2070 nM
   TI
   LI
   LO
   TS
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 4910 nM
   TI
   LI
   LO
   TS
Protein ID: PT02378, Vitamin D3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  1
1
EC50 = 1950 nM
   TI
   LI
   LO
   TS