7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid

C16H14FN3O3S — CID 67799847

About 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid

7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid (PubChem CID 67799847) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
• PubChem CID: 67799847
• Molecular Formula: C16H14FN3O3S
• Molecular Weight: 347.37 g/mol
• Exact Mass: 347.07
• IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
• SMILES: C=c1sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n12
• InChI: InChI=1S/C16H14FN3O3S/c1-7-20-11-5-12(19-3-2-8(18)6-19)10(17)4-9(11)14(21)13(16(22)23)15(20)24-7/h4-5,8H,1-3,6,18H2,(H,22,23)
• InChIKey: RESFGQWYYMMOPM-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 88.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.37
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid?

The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid (CID 67799847) is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid.

What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid?

The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid is C=c1sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n12.

What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid?

The InChIKey is RESFGQWYYMMOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-7-20-11-5-12(19-3-2-8(18)6-19)10(17)4-9(11)14(21)13(16(22)23)15(20)24-7/h4-5,8H,1-3,6,18H2,(H,22,23).

What are the key properties of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid?

7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid has a molecular weight of 347.37 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-methylidene-4-oxo-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid is sourced from PubChem (CID 67799847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).