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Home > Fluorides > 113836-85-4
113836-85-4 | 4(1H)-Quinolinone, 7-(4-acetyl-1-piperazinyl)-6-fluoro-
CAS No: 113836-85-4 Catalog No: AG0009U9 MDL No:
Product Description
Catalog Number:
AG0009U9
Chemical Name:
4(1H)-Quinolinone, 7-(4-acetyl-1-piperazinyl)-6-fluoro-
CAS Number:
113836-85-4
Molecular Formula:
C15H16FN3O2
Molecular Weight:
289.3048
IUPAC Name:
7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one
InChI:
InChI=1S/C15H16FN3O2/c1-10(20)18-4-6-19(7-5-18)14-9-13-11(8-12(14)16)15(21)2-3-17-13/h2-3,8-9H,4-7H2,1H3,(H,17,21)
InChI Key:
LBKRRQWBCCTKDN-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)c1cc2[nH]ccc(=O)c2cc1F
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.123g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.31g/mol
Monoisotopic Mass:
289.123g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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