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473445-58-8

473445-58-8 | N-methyl-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide

CAS No: 473445-58-8 Catalog No: AG00J88D MDL No:MFCD02342259

Product Description

Catalog Number:
AG00J88D
Chemical Name:
N-methyl-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CAS Number:
473445-58-8
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD02342259
IUPAC Name:
N-methyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
InChI:
InChI=1S/C11H13N3O2/c1-12-10(15)6-9-11(16)14-8-5-3-2-4-7(8)13-9/h2-5,9,13H,6H2,1H3,(H,12,15)(H,14,16)
InChI Key:
KAUPMSLZEUJSHT-UHFFFAOYSA-N
SMILES:
CNC(=O)CC1Nc2ccccc2NC1=O

Properties

Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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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