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827030-72-8 | 4-Quinazolinamine, 2-chloro-N-(3-methoxyphenyl)-N-methyl-
CAS No: 827030-72-8 Catalog No: AG004WDR MDL No:
Product Description
Catalog Number:
AG004WDR
Chemical Name:
4-Quinazolinamine, 2-chloro-N-(3-methoxyphenyl)-N-methyl-
CAS Number:
827030-72-8
Molecular Formula:
C16H14ClN3O
Molecular Weight:
299.7549
IUPAC Name:
2-chloro-N-(3-methoxyphenyl)-N-methylquinazolin-4-amine
InChI:
InChI=1S/C16H14ClN3O/c1-20(11-6-5-7-12(10-11)21-2)15-13-8-3-4-9-14(13)18-16(17)19-15/h3-10H,1-2H3
InChI Key:
TYNKRAPSWAKMSZ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)N(c1nc(Cl)nc2c1cccc2)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.758g/mol
Monoisotopic Mass:
299.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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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