6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C17H13FN2O2S2 — CID 89431341

IUPAC6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCCn1c2cc(-c3ccsc3)c(F)cc2c(=O)c2c(=O)[nH]sc21
InChIInChI=1S/C17H13FN2O2S2/c1-2-4-20-13-7-10(9-3-5-23-8-9)12(18)6-11(13)15(21)14-16(22)19-24-17(14)20/h3,5-8H,2,4H2,1H3,(H,19,22)
InChIKeyXFFZOGKRRNVJQF-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.18
Rot. Bonds3

About 6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 89431341) has the molecular formula C17H13FN2O2S2 and a molecular weight of 360.44 g/mol. Its IUPAC name is 6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID89431341
Molecular FormulaC17H13FN2O2S2
Molecular Weight360.44 g/mol
Exact Mass360.04
IUPAC Name6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCCn1c2cc(-c3ccsc3)c(F)cc2c(=O)c2c(=O)[nH]sc21
InChIInChI=1S/C17H13FN2O2S2/c1-2-4-20-13-7-10(9-3-5-23-8-9)12(18)6-11(13)15(21)14-16(22)19-24-17(14)20/h3,5-8H,2,4H2,1H3,(H,19,22)
InChIKeyXFFZOGKRRNVJQF-UHFFFAOYSA-N
XLogP4.18
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 89431341) is 6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is CCCn1c2cc(-c3ccsc3)c(F)cc2c(=O)c2c(=O)[nH]sc21.
What is the InChIKey of 6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is XFFZOGKRRNVJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S2/c1-2-4-20-13-7-10(9-3-5-23-8-9)12(18)6-11(13)15(21)14-16(22)19-24-17(14)20/h3,5-8H,2,4H2,1H3,(H,19,22).
What are the key properties of 6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 360.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 89431341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).