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Home > Other Heterocycles > 731815-80-8
731815-80-8 | 3-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}-1,2-dihydroquinoxalin-2-one
CAS No: 731815-80-8 Catalog No: AG019ITB MDL No:
Product Description
Catalog Number:
AG019ITB
Chemical Name:
3-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}-1,2-dihydroquinoxalin-2-one
CAS Number:
731815-80-8
Molecular Formula:
C18H23N3O
Molecular Weight:
297.3947
IUPAC Name:
3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-1H-quinoxalin-2-one
InChI:
InChI=1S/C18H23N3O/c1-17(2)8-12-9-18(3,10-17)11-21(12)15-16(22)20-14-7-5-4-6-13(14)19-15/h4-7,12H,8-11H2,1-3H3,(H,20,22)
InChI Key:
SIHAQNJUPWOXJI-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2nc1N1CC2(CC1CC(C2)(C)C)C
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.184g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.402g/mol
Monoisotopic Mass:
297.184g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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