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Home > Quinoline > 840474-95-5
840474-95-5 | Quinol 1h
CAS No: 840474-95-5 Catalog No: AG00GAON MDL No:
Product Description
Catalog Number:
AG00GAON
Chemical Name:
Quinol 1h
CAS Number:
840474-95-5
Molecular Formula:
C20H15NO4S
Molecular Weight:
365.4024
IUPAC Name:
4-[1-(benzenesulfonyl)-6-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C20H14FNO4S/c21-15-7-6-14-12-19(20(24)10-8-16(23)9-11-20)22(18(14)13-15)27(25,26)17-4-2-1-3-5-17/h1-13,24H
InChI Key:
NUKLBNRXGJLHIA-UHFFFAOYSA-N
SMILES:
O=C1C=CC(C=C1)(O)c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2
Properties
Complexity:
734
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.063g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.393g/mol
Monoisotopic Mass:
383.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Quinol derivatives as potential trypanocidal agents. | Bioorganic & medicinal chemistry 20120215 |
| Quinols as novel therapeutic agents. 7.1 Synthesis of antitumor 4-[1-(arylsulfonyl-1H-indol-2-yl)]-4-hydroxycyclohexa-2,5-dien-1-ones by Sonogashira reactions. | Journal of medicinal chemistry 20070405 |
| Quinols as novel therapeutic agents. 2.(1) 4-(1-Arylsulfonylindol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-ones and related agents as potent and selective antitumor agents. | Journal of medicinal chemistry 20050127 |
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