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827031-17-4 | 4-Quinazolinamine, N-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-
CAS No: 827031-17-4 Catalog No: AG005A51 MDL No:
Product Description
Catalog Number:
AG005A51
Chemical Name:
4-Quinazolinamine, N-(3-fluoro-4-methoxyphenyl)-N,2-dimethyl-
CAS Number:
827031-17-4
Molecular Formula:
C17H16FN3O
Molecular Weight:
297.3268
IUPAC Name:
N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
InChI:
InChI=1S/C17H16FN3O/c1-11-19-15-7-5-4-6-13(15)17(20-11)21(2)12-8-9-16(22-3)14(18)10-12/h4-10H,1-3H3
InChI Key:
NXOZBYBATCYWGY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)N(c1nc(C)nc2c1cccc2)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.128g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.333g/mol
Monoisotopic Mass:
297.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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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