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827030-89-7 | 4-Quinazolinamine, 2,6-dichloro-N-(4-methoxyphenyl)-N-methyl-
CAS No: 827030-89-7 Catalog No: AG0051NR MDL No:
Product Description
Catalog Number:
AG0051NR
Chemical Name:
4-Quinazolinamine, 2,6-dichloro-N-(4-methoxyphenyl)-N-methyl-
CAS Number:
827030-89-7
Molecular Formula:
C16H13Cl2N3O
Molecular Weight:
334.1999
IUPAC Name:
2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
InChI:
InChI=1S/C16H13Cl2N3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-9-10(17)3-8-14(13)19-16(18)20-15/h3-9H,1-2H3
InChI Key:
CIINIBVJXMGLHX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(c1nc(Cl)nc2c1cc(Cl)cc2)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.2g/mol
Monoisotopic Mass:
333.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Discovery of 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (EP128265, MPI-0441138) as a potent inducer of apoptosis with high in vivo activity. | Journal of medicinal chemistry 20080814 |
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