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1788-95-0 | 4(3H)-Quinazolinone, 3-(4-bromophenyl)-2-methyl-
CAS No: 1788-95-0 Catalog No: AG0026BZ MDL No:MFCD00437360
Product Description
Catalog Number:
AG0026BZ
Chemical Name:
4(3H)-Quinazolinone, 3-(4-bromophenyl)-2-methyl-
CAS Number:
1788-95-0
Molecular Formula:
C15H11BrN2O
Molecular Weight:
315.1646
MDL Number:
MFCD00437360
IUPAC Name:
3-(4-bromophenyl)-2-methylquinazolin-4-one
InChI:
InChI=1S/C15H11BrN2O/c1-10-17-14-5-3-2-4-13(14)15(19)18(10)12-8-6-11(16)7-9-12/h2-9H,1H3
InChI Key:
HNDXCNZDFXGBRU-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1c(C)nc2c(c1=O)cccc2
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.17g/mol
Monoisotopic Mass:
314.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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