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73281-56-8 | 4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile
CAS No: 73281-56-8 Catalog No: AG00J8L9 MDL No:MFCD00179945
Product Description
Catalog Number:
AG00J8L9
Chemical Name:
4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile
CAS Number:
73281-56-8
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD00179945
IUPAC Name:
4-hydroxy-1-methyl-2-oxoquinoline-3-carbonitrile
InChI:
InChI=1S/C11H8N2O2/c1-13-9-5-3-2-4-7(9)10(14)8(6-12)11(13)15/h2-5,14H,1H3
InChI Key:
SOVQZHGSZJKNEH-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)c2ccccc2n(c1=O)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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