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

C14H15FN4O4S — CID 165122695

IUPAC5-[8-fluoro-6-hydroxy-2-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCC(C)Nc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2n1
InChIInChI=1S/C14H15FN4O4S/c1-7(2)16-10-4-3-8-5-9(20)14(12(15)13(8)17-10)19-6-11(21)18-24(19,22)23/h3-5,7,20H,6H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyUMCBJAXPMZAPBT-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.08
Rot. Bonds3

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

5-[8-fluoro-6-hydroxy-2-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 165122695) has the molecular formula C14H15FN4O4S and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-[8-fluoro-6-hydroxy-2-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[8-fluoro-6-hydroxy-2-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID165122695
Molecular FormulaC14H15FN4O4S
Molecular Weight354.36 g/mol
Exact Mass354.08
IUPAC Name5-[8-fluoro-6-hydroxy-2-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCC(C)Nc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2n1
InChIInChI=1S/C14H15FN4O4S/c1-7(2)16-10-4-3-8-5-9(20)14(12(15)13(8)17-10)19-6-11(21)18-24(19,22)23/h3-5,7,20H,6H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyUMCBJAXPMZAPBT-UHFFFAOYSA-N
XLogP1.08
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.08
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-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[8-fluoro-6-hydroxy-2-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 165122695) is 5-[8-fluoro-6-hydroxy-2-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[8-fluoro-6-hydroxy-2-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[8-fluoro-6-hydroxy-2-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is CC(C)Nc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2n1.
What is the InChIKey of 5-[8-fluoro-6-hydroxy-2-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is UMCBJAXPMZAPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O4S/c1-7(2)16-10-4-3-8-5-9(20)14(12(15)13(8)17-10)19-6-11(21)18-24(19,22)23/h3-5,7,20H,6H2,1-2H3,(H,16,17)(H,18,21).
What are the key properties of 5-[8-fluoro-6-hydroxy-2-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[8-fluoro-6-hydroxy-2-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 354.36 g/mol, XLogP of 1.08, 3 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-(propan-2-ylamino)quinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 165122695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).