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827031-40-3 | 4-Quinazolinamine, N-(4-ethoxyphenyl)-N,2-dimethyl-
CAS No: 827031-40-3 Catalog No: AG0050VY MDL No:
Product Description
Catalog Number:
AG0050VY
Chemical Name:
4-Quinazolinamine, N-(4-ethoxyphenyl)-N,2-dimethyl-
CAS Number:
827031-40-3
Molecular Formula:
C18H19N3O
Molecular Weight:
293.3630
IUPAC Name:
N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine
InChI:
InChI=1S/C18H19N3O/c1-4-22-15-11-9-14(10-12-15)21(3)18-16-7-5-6-8-17(16)19-13(2)20-18/h5-12H,4H2,1-3H3
InChI Key:
XIKQWUWGAHSPNN-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)N(c1nc(C)nc2c1cccc2)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.37g/mol
Monoisotopic Mass:
293.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Discovery of N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine, a potent apoptosis inducer and efficacious anticancer agent with high blood brain barrier penetration. | Journal of medicinal chemistry 20090423 |
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