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827031-26-5 | 4-(Methyl(2-methylquinazolin-4-yl)amino)phenol
CAS No: 827031-26-5 Catalog No: AG005A4Y MDL No:
Product Description
Catalog Number:
AG005A4Y
Chemical Name:
4-(Methyl(2-methylquinazolin-4-yl)amino)phenol
CAS Number:
827031-26-5
Molecular Formula:
C16H15N3O
Molecular Weight:
265.3098
IUPAC Name:
4-[methyl-(2-methylquinazolin-4-yl)amino]phenol
InChI:
InChI=1S/C16H15N3O/c1-11-17-15-6-4-3-5-14(15)16(18-11)19(2)12-7-9-13(20)10-8-12/h3-10,20H,1-2H3
InChI Key:
SYAAUQJWTDEQLK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)N(c1nc(C)nc2c1cccc2)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.316g/mol
Monoisotopic Mass:
265.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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