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827031-04-9 | 4-Quinazolinamine, N-(4-methoxyphenyl)-N,2-dimethyl-, hydrochloride
CAS No: 827031-04-9 Catalog No: AG0051NK MDL No:
Product Description
Catalog Number:
AG0051NK
Chemical Name:
4-Quinazolinamine, N-(4-methoxyphenyl)-N,2-dimethyl-, hydrochloride
CAS Number:
827031-04-9
Molecular Formula:
C17H18ClN3O
Molecular Weight:
315.7973
IUPAC Name:
N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;hydrochloride
InChI:
InChI=1S/C17H17N3O.ClH/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13;/h4-11H,1-3H3;1H
InChI Key:
VYUWDIKZJLOZJL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(c1nc(C)nc2c1cccc2)C.Cl
UNII:
33380QZ0QW
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.801g/mol
Monoisotopic Mass:
315.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Cardiovascular toxicity profiles of vascular-disrupting agents. | The oncologist 20110801 |
| 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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