General Information of the Compound
Compound ID
CP0064504
Compound Name
(6,7-Dimethoxy-quinazolin-4-yl)-m-tolyl-amine
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Synonyms
(6,7-Dimethoxy-quinazolin-4-yl)-m-tolyl-amine
4-Quinazolinamine,6,7-dimethoxy-N-(3-methylphenyl)-
6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine
6,7-dimethoxy-N-m-tolylquinazolin-4-amine
666839-07-2
AC1MDC5E
BDBM50102093
CHEMBL56802
MCULE-3929709513
MolPort-001-734-434
Oprea1_570563
SCHEMBL5482883
SR-02000000178
SR-02000000178-1
ZINC5857
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Structure
Formula
C17H17N3O2
Molecular Weight
295.342
Canonical SMILES
COc1cc2ncnc(Nc3cccc(C)c3)c2cc1OC
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InChI
InChI=1S/C17H17N3O2/c1-11-5-4-6-12(7-11)20-17-13-8-15(21-2)16(22-3)9-14(13)18-10-19-17/h4-10H,1-3H3,(H,18,19,20)
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InChIKey
RSVNNWQHWIOIOC-UHFFFAOYSA-N
Physicochemical Property
logP
3.69902
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
56.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 2808977
SID: 14775897
ChEMBL ID
CHEMBL56802
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4.6 nM
Clinical Information about the Compound
Drug 1 ( 6,7-dimethoxy-N-m-tolylquinazolin-4-amine )
Drug Name 6,7-dimethoxy-N-m-tolylquinazolin-4-amine
Target(s)
Epidermal growth factor receptor (EGFR)
Inhibitor