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53921-72-5 | 4,6,7,8-TETRAHYDRO-1H,3H-QUINOLINE-2,5-DIONE
CAS No: 53921-72-5 Catalog No: AG00D95I MDL No:MFCD00835610
Product Description
Catalog Number:
AG00D95I
Chemical Name:
4,6,7,8-TETRAHYDRO-1H,3H-QUINOLINE-2,5-DIONE
CAS Number:
53921-72-5
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD00835610
IUPAC Name:
5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one
InChI:
InChI=1S/C11H11NO/c13-10-6-9-11-7(4-5-12-9)2-1-3-8(10)11/h1-3,9,12H,4-6H2
InChI Key:
CQWOTKCLUYJOPP-UHFFFAOYSA-N
SMILES:
O=C1CC2c3c1cccc3CCN2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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