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166520-35-0 | 4-hydroxy-1-methyl-3-(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)-1,2-dihydroquinolin-2-one
CAS No: 166520-35-0 Catalog No: AG00IR8Y MDL No:MFCD05256394
Product Description
Catalog Number:
AG00IR8Y
Chemical Name:
4-hydroxy-1-methyl-3-(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)-1,2-dihydroquinolin-2-one
CAS Number:
166520-35-0
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
MDL Number:
MFCD05256394
IUPAC Name:
4-hydroxy-1-methyl-3-(5-oxo-1,2-dihydropyrazol-3-yl)quinolin-2-one
InChI:
InChI=1S/C13H11N3O3/c1-16-9-5-3-2-4-7(9)12(18)11(13(16)19)8-6-10(17)15-14-8/h2-6,18H,1H3,(H2,14,15,17)
InChI Key:
OXNOCQWZGSPNSB-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c(c1)c1c(O)c2ccccc2n(c1=O)C
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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