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179248-61-4

179248-61-4 | 4-Quinazolinamine, 6,7-dimethoxy-N-[4-(phenylmethoxy)phenyl]-

CAS No: 179248-61-4 Catalog No: AG0026VD MDL No:

Product Description

Catalog Number:
AG0026VD
Chemical Name:
4-Quinazolinamine, 6,7-dimethoxy-N-[4-(phenylmethoxy)phenyl]-
CAS Number:
179248-61-4
Molecular Formula:
C23H21N3O3
Molecular Weight:
387.4311
IUPAC Name:
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
InChI:
InChI=1S/C23H21N3O3/c1-27-21-12-19-20(13-22(21)28-2)24-15-25-23(19)26-17-8-10-18(11-9-17)29-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,24,25,26)
InChI Key:
DNOKYISWMVFYFA-UHFFFAOYSA-N
SMILES:
COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)OCc1ccccc1

Properties

Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.158g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
387.439g/mol
Monoisotopic Mass:
387.158g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

Literature

Title Journal
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery. The Biochemical journal 20130415
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity. Nature biotechnology 20111101
Discovering novel quercetin-3-O-amino acid-esters as a new class of Src tyrosine kinase inhibitors. European journal of medicinal chemistry 20090501
Indazolylamino quinazolines and pyridopyrimidines as inhibitors of the EGFr and C-erbB-2. Bioorganic & medicinal chemistry letters 20010604

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