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827031-00-5 | 4-Quinazolinamine, 2-chloro-N-methyl-N-(4-phenoxyphenyl)-
CAS No: 827031-00-5 Catalog No: AG0051NN MDL No:
Product Description
Catalog Number:
AG0051NN
Chemical Name:
4-Quinazolinamine, 2-chloro-N-methyl-N-(4-phenoxyphenyl)-
CAS Number:
827031-00-5
Molecular Formula:
C21H16ClN3O
Molecular Weight:
361.8242
IUPAC Name:
2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine
InChI:
InChI=1S/C21H16ClN3O/c1-25(20-18-9-5-6-10-19(18)23-21(22)24-20)15-11-13-17(14-12-15)26-16-7-3-2-4-8-16/h2-14H,1H3
InChI Key:
UUCBIOYCBAVSCV-UHFFFAOYSA-N
SMILES:
Clc1nc2ccccc2c(n1)N(c1ccc(cc1)Oc1ccccc1)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.098g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.829g/mol
Monoisotopic Mass:
361.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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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