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827031-76-5 | 4-Quinazolinamine, N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-
CAS No: 827031-76-5 Catalog No: AG004VX6 MDL No:
Product Description
Catalog Number:
AG004VX6
Chemical Name:
4-Quinazolinamine, N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-
CAS Number:
827031-76-5
Molecular Formula:
C16H16N4O
Molecular Weight:
280.3244
IUPAC Name:
N-(5-methoxypyridin-2-yl)-N,2-dimethylquinazolin-4-amine
InChI:
InChI=1S/C16H16N4O/c1-11-18-14-7-5-4-6-13(14)16(19-11)20(2)15-9-8-12(21-3)10-17-15/h4-10H,1-3H3
InChI Key:
UUMCDUFWVPLFRA-UHFFFAOYSA-N
SMILES:
COc1ccc(nc1)N(c1nc(C)nc2c1cccc2)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.331g/mol
Monoisotopic Mass:
280.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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