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866135-98-0 | 1-ethyl-4-hydroxy-3-(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)-1,2-dihydroquinolin-2-one
CAS No: 866135-98-0 Catalog No: AG00IVPV MDL No:MFCD05256336
Product Description
Catalog Number:
AG00IVPV
Chemical Name:
1-ethyl-4-hydroxy-3-(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)-1,2-dihydroquinolin-2-one
CAS Number:
866135-98-0
Molecular Formula:
C14H13N3O3
Molecular Weight:
271.2713
MDL Number:
MFCD05256336
IUPAC Name:
1-ethyl-4-hydroxy-3-(5-oxo-1,2-dihydropyrazol-3-yl)quinolin-2-one
InChI:
InChI=1S/C14H13N3O3/c1-2-17-10-6-4-3-5-8(10)13(19)12(14(17)20)9-7-11(18)16-15-9/h3-7,19H,2H2,1H3,(H2,15,16,18)
InChI Key:
MGFXXMKJQYELBD-UHFFFAOYSA-N
SMILES:
CCn1c(=O)c(c2[nH][nH]c(=O)c2)c(c2c1cccc2)O
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.276g/mol
Monoisotopic Mass:
271.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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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