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866149-99-7 | 1-benzyl-4-hydroxy-3-(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)-1,2-dihydroquinolin-2-one
CAS No: 866149-99-7 Catalog No: AG00IRK5 MDL No:MFCD05668991
Product Description
Catalog Number:
AG00IRK5
Chemical Name:
1-benzyl-4-hydroxy-3-(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)-1,2-dihydroquinolin-2-one
CAS Number:
866149-99-7
Molecular Formula:
C19H15N3O3
Molecular Weight:
333.3407
MDL Number:
MFCD05668991
IUPAC Name:
1-benzyl-4-hydroxy-3-(5-oxo-1,2-dihydropyrazol-3-yl)quinolin-2-one
InChI:
InChI=1S/C19H15N3O3/c23-16-10-14(20-21-16)17-18(24)13-8-4-5-9-15(13)22(19(17)25)11-12-6-2-1-3-7-12/h1-10,24H,11H2,(H2,20,21,23)
InChI Key:
ZSCYWSLKDAZCJC-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c(c1)c1c(O)c2ccccc2n(c1=O)Cc1ccccc1
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
333.347g/mol
Monoisotopic Mass:
333.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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