General Information of the Compound
Compound ID
CP0036030
Compound Name
3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
    Show/Hide
Synonyms
-Hydroxyphenyl)amino-6,7-dimethoxyquinazoline, HCl
1di8
211555-08-7
3-((6,7-Dimethoxyquinazolin-4-yl)amino)phenol
3-(6,7-dimethoxyquinazolin-4-ylamino)phenol
3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
4-(3&amp
4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE
4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline
4-[3-Hydroxyanilino]-6,7-dimethoxyquinazoline
4btk
AC1L1KWT
AC1Q4XVE
AK341047
AOB5495
Anilinoquinazoline deriv 5
BDBM4622
BNDYIYYKEIXHNK-UHFFFAOYSA-N
CHEMBL127907
CTK4E5981
DTQ
HMS3229P15
JANEX 3
JANEX-3
MolPort-000-672-017
SCHEMBL1180103
WHI-P180
WHI-P180(Janex 3)
WHI-P180, Hydrochloride
whi-p180
    Show/Hide
Structure
Formula
C16H15N3O3
Molecular Weight
297.314
Canonical SMILES
COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
    Show/Hide
InChI
InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
    Show/Hide
InChIKey
BNDYIYYKEIXHNK-UHFFFAOYSA-N
Physicochemical Property
logP
3.0962
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
76.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5687
SID: 14873609
ChEMBL ID
CHEMBL127907
DrugBank ID
DB03365
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: PT00864, Vascular endothelial growth factor receptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 66 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000077 Ba/F3
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 890 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 50 nM
2 IC50 = 74 nM
Clinical Information about the Compound
Drug 1 ( 4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline )
Drug Name 4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline
Target(s)
Vascular endothelial growth factor receptor 2 (KDR)
 Target Info 
Inhibitor
Cyclin-dependent kinase 2 (CDK2)
 Target Info 
Inhibitor