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Home Other Building Blocks N-(2-methylphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide

N-(2-methylphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide

CAS No.:
317814-58-7
Catalog Number:
AG019IEM
Molecular Formula:
C17H17N3O2
Molecular Weight:
295.3358
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Product Description
Catalog Number:
AG019IEM
Chemical Name:
N-(2-methylphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CAS Number:
317814-58-7
Molecular Formula:
C17H17N3O2
Molecular Weight:
295.3358
MDL Number:
MFCD01163327
IUPAC Name:
N-(2-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
InChI:
InChI=1S/C17H17N3O2/c1-11-6-2-3-7-12(11)19-16(21)10-15-17(22)20-14-9-5-4-8-13(14)18-15/h2-9,15,18H,10H2,1H3,(H,19,21)(H,20,22)
InChI Key:
TZQMZDMPQBAJRP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1C)CC1Nc2ccccc2NC1=O
Properties
Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.132g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
295.342g/mol
Monoisotopic Mass:
295.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties