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84546-40-7 | 4(3H)-Quinazolinone, 3-(4-aminophenyl)-6-bromo-2-methyl-
CAS No: 84546-40-7 Catalog No: AG004VHC MDL No:
Product Description
Catalog Number:
AG004VHC
Chemical Name:
4(3H)-Quinazolinone, 3-(4-aminophenyl)-6-bromo-2-methyl-
CAS Number:
84546-40-7
Molecular Formula:
C15H12BrN3O
Molecular Weight:
330.1793
IUPAC Name:
3-(4-aminophenyl)-6-bromo-2-methylquinazolin-4-one
InChI:
InChI=1S/C15H12BrN3O/c1-9-18-14-7-2-10(16)8-13(14)15(20)19(9)12-5-3-11(17)4-6-12/h2-8H,17H2,1H3
InChI Key:
IKZNGMCVEWMUAH-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)n1c(C)nc2c(c1=O)cc(cc2)Br
NSC Number:
665518
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.016g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.185g/mol
Monoisotopic Mass:
329.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral evaluation of some new glycosylthioureas containing a quinazolinone nucleus. | Nucleosides, nucleotides & nucleic acids 20020101 |
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