5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C12H11FN4O4S — CID 165122623

IUPAC5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCNc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2n1
InChIInChI=1S/C12H11FN4O4S/c1-14-8-3-2-6-4-7(18)12(10(13)11(6)15-8)17-5-9(19)16-22(17,20)21/h2-4,18H,5H2,1H3,(H,14,15)(H,16,19)
InChIKeyVMHKGOQLUDSRLL-UHFFFAOYSA-N
MW326.31 g/mol
LogP0.30
Rot. Bonds2

About 5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 165122623) has the molecular formula C12H11FN4O4S and a molecular weight of 326.31 g/mol. Its IUPAC name is 5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID165122623
Molecular FormulaC12H11FN4O4S
Molecular Weight326.31 g/mol
Exact Mass326.05
IUPAC Name5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCNc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2n1
InChIInChI=1S/C12H11FN4O4S/c1-14-8-3-2-6-4-7(18)12(10(13)11(6)15-8)17-5-9(19)16-22(17,20)21/h2-4,18H,5H2,1H3,(H,14,15)(H,16,19)
InChIKeyVMHKGOQLUDSRLL-UHFFFAOYSA-N
XLogP0.30
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 165122623) is 5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is CNc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2n1.
What is the InChIKey of 5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is VMHKGOQLUDSRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O4S/c1-14-8-3-2-6-4-7(18)12(10(13)11(6)15-8)17-5-9(19)16-22(17,20)21/h2-4,18H,5H2,1H3,(H,14,15)(H,16,19).
What are the key properties of 5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 326.31 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-fluoro-6-hydroxy-2-(methylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 165122623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).