9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C13H8F2N2O2S — CID 14668979

IUPAC9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(F)cc1n2C1CC1
InChIInChI=1S/C13H8F2N2O2S/c14-7-3-6-9(4-8(7)15)17(5-1-2-5)13-10(11(6)18)12(19)16-20-13/h3-5H,1-2H2,(H,16,19)
InChIKeyAOFUJXARMVDMRP-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.52
Rot. Bonds1

About 9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 14668979) has the molecular formula C13H8F2N2O2S and a molecular weight of 294.28 g/mol. Its IUPAC name is 9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID14668979
Molecular FormulaC13H8F2N2O2S
Molecular Weight294.28 g/mol
Exact Mass294.03
IUPAC Name9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(F)cc1n2C1CC1
InChIInChI=1S/C13H8F2N2O2S/c14-7-3-6-9(4-8(7)15)17(5-1-2-5)13-10(11(6)18)12(19)16-20-13/h3-5H,1-2H2,(H,16,19)
InChIKeyAOFUJXARMVDMRP-UHFFFAOYSA-N
XLogP2.52
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 14668979) is 9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(F)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is AOFUJXARMVDMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S/c14-7-3-6-9(4-8(7)15)17(5-1-2-5)13-10(11(6)18)12(19)16-20-13/h3-5H,1-2H2,(H,16,19).
What are the key properties of 9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 294.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 14668979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).