7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C21H15F4N3O2S — CID 57252677

IUPAC7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESNC1CCC(c2c(F)cc3c(=O)c4c(=O)[nH]sc4n(-c4ccc(F)cc4F)c3c2F)C1
InChIInChI=1S/C21H15F4N3O2S/c22-9-2-4-14(12(23)6-9)28-18-11(19(29)16-20(30)27-31-21(16)28)7-13(24)15(17(18)25)8-1-3-10(26)5-8/h2,4,6-8,10H,1,3,5,26H2,(H,27,30)
InChIKeyYBOZMHSLJIAEEB-UHFFFAOYSA-N
MW449.43 g/mol
LogP4.04
Rot. Bonds2

About 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 57252677) has the molecular formula C21H15F4N3O2S and a molecular weight of 449.43 g/mol. Its IUPAC name is 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID57252677
Molecular FormulaC21H15F4N3O2S
Molecular Weight449.43 g/mol
Exact Mass449.08
IUPAC Name7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESNC1CCC(c2c(F)cc3c(=O)c4c(=O)[nH]sc4n(-c4ccc(F)cc4F)c3c2F)C1
InChIInChI=1S/C21H15F4N3O2S/c22-9-2-4-14(12(23)6-9)28-18-11(19(29)16-20(30)27-31-21(16)28)7-13(24)15(17(18)25)8-1-3-10(26)5-8/h2,4,6-8,10H,1,3,5,26H2,(H,27,30)
InChIKeyYBOZMHSLJIAEEB-UHFFFAOYSA-N
XLogP4.04
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 57015750
7-(3-aminocyclopentyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19841356
7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19841305
7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 54471257
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
7-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 59999527
7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 70849221
9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19981974
7-(3-amino-4-methylpyrrolidin-1-yl)-8-chloro-9-(2,4-difluorophenyl)-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
CID 67935519
7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 21294379
7-[3-(aminomethyl)-4-chloropyrrolidin-1-yl]-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19981971
9-(2,4-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 55105976

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 57252677) is 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is NC1CCC(c2c(F)cc3c(=O)c4c(=O)[nH]sc4n(-c4ccc(F)cc4F)c3c2F)C1.
What is the InChIKey of 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is YBOZMHSLJIAEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O2S/c22-9-2-4-14(12(23)6-9)28-18-11(19(29)16-20(30)27-31-21(16)28)7-13(24)15(17(18)25)8-1-3-10(26)5-8/h2,4,6-8,10H,1,3,5,26H2,(H,27,30).
What are the key properties of 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 449.43 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 57252677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).