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

C15H17FN4O5S — CID 165122565

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

5-[5-fluoro-7-hydroxy-1-methyl-2-oxo-3-(propan-2-ylamino)quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 165122565) has the molecular formula C15H17FN4O5S and a molecular weight of 384.39 g/mol. Its IUPAC name is 5-[5-fluoro-7-hydroxy-1-methyl-2-oxo-3-(propan-2-ylamino)quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

• Compound Name: 5-[5-fluoro-7-hydroxy-1-methyl-2-oxo-3-(propan-2-ylamino)quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
• PubChem CID: 165122565
• Molecular Formula: C15H17FN4O5S
• Molecular Weight: 384.39 g/mol
• Exact Mass: 384.09
• IUPAC Name: 5-[5-fluoro-7-hydroxy-1-methyl-2-oxo-3-(propan-2-ylamino)quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
• SMILES: CC(C)Nc1cc2c(F)c(N3CC(=O)NS3(=O)=O)c(O)cc2n(C)c1=O
• InChI: InChI=1S/C15H17FN4O5S/c1-7(2)17-9-4-8-10(19(3)15(9)23)5-11(21)14(13(8)16)20-6-12(22)18-26(20,24)25/h4-5,7,17,21H,6H2,1-3H3,(H,18,22)
• InChIKey: RQDYDYKOGTYXPA-UHFFFAOYSA-N
• XLogP: 0.38
• TPSA: 120.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.39
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-7-hydroxy-1-methyl-2-oxo-3-(propan-2-ylamino)quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?

The IUPAC name of 5-[5-fluoro-7-hydroxy-1-methyl-2-oxo-3-(propan-2-ylamino)quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 165122565) is 5-[5-fluoro-7-hydroxy-1-methyl-2-oxo-3-(propan-2-ylamino)quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

What is the SMILES notation for 5-[5-fluoro-7-hydroxy-1-methyl-2-oxo-3-(propan-2-ylamino)quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?

The canonical SMILES for 5-[5-fluoro-7-hydroxy-1-methyl-2-oxo-3-(propan-2-ylamino)quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is CC(C)Nc1cc2c(F)c(N3CC(=O)NS3(=O)=O)c(O)cc2n(C)c1=O.

What is the InChIKey of 5-[5-fluoro-7-hydroxy-1-methyl-2-oxo-3-(propan-2-ylamino)quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?

The InChIKey is RQDYDYKOGTYXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O5S/c1-7(2)17-9-4-8-10(19(3)15(9)23)5-11(21)14(13(8)16)20-6-12(22)18-26(20,24)25/h4-5,7,17,21H,6H2,1-3H3,(H,18,22).

What are the key properties of 5-[5-fluoro-7-hydroxy-1-methyl-2-oxo-3-(propan-2-ylamino)quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?

5-[5-fluoro-7-hydroxy-1-methyl-2-oxo-3-(propan-2-ylamino)quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 384.39 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-fluoro-7-hydroxy-1-methyl-2-oxo-3-(propan-2-ylamino)quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 165122565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).