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1031195-19-3 | 1-{4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl}ethan-1-one
CAS No: 1031195-19-3 Catalog No: AG01BF3O MDL No:MFCD10627184
Product Description
Catalog Number:
AG01BF3O
Chemical Name:
1-{4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl}ethan-1-one
CAS Number:
1031195-19-3
Molecular Formula:
C21H21N3O3
Molecular Weight:
363.4097
MDL Number:
MFCD10627184
IUPAC Name:
1-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
InChI:
InChI=1S/C21H21N3O3/c1-14-7-8-20(27-14)19-13-17(16-5-3-4-6-18(16)22-19)21(26)24-11-9-23(10-12-24)15(2)25/h3-8,13H,9-12H2,1-2H3
InChI Key:
ZQJTYRXKAZFWPK-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)C(=O)c1cc(nc2c1cccc2)c1ccc(o1)C
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.158g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.417g/mol
Monoisotopic Mass:
363.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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