7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C21H13FN2O3S — CID 11567335

IUPAC7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3cc4ccccc4o3)cc1n2C1CC1
InChIInChI=1S/C21H13FN2O3S/c22-14-8-13-15(9-12(14)17-7-10-3-1-2-4-16(10)27-17)24(11-5-6-11)21-18(19(13)25)20(26)23-28-21/h1-4,7-9,11H,5-6H2,(H,23,26)
InChIKeyHDZGHLXZOXPRDL-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.79
Rot. Bonds2

About 7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 11567335) has the molecular formula C21H13FN2O3S and a molecular weight of 392.41 g/mol. Its IUPAC name is 7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID11567335
Molecular FormulaC21H13FN2O3S
Molecular Weight392.41 g/mol
Exact Mass392.06
IUPAC Name7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3cc4ccccc4o3)cc1n2C1CC1
InChIInChI=1S/C21H13FN2O3S/c22-14-8-13-15(9-12(14)17-7-10-3-1-2-4-16(10)27-17)24(11-5-6-11)21-18(19(13)25)20(26)23-28-21/h1-4,7-9,11H,5-6H2,(H,23,26)
InChIKeyHDZGHLXZOXPRDL-UHFFFAOYSA-N
XLogP4.79
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 11567335) is 7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(-c3cc4ccccc4o3)cc1n2C1CC1.
What is the InChIKey of 7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is HDZGHLXZOXPRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2O3S/c22-14-8-13-15(9-12(14)17-7-10-3-1-2-4-16(10)27-17)24(11-5-6-11)21-18(19(13)25)20(26)23-28-21/h1-4,7-9,11H,5-6H2,(H,23,26).
What are the key properties of 7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 392.41 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzofuran-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 11567335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).