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

C18H19F2N3O2S — CID 19841305

IUPAC7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCn1c2s[nH]c(=O)c2c(=O)c2cc(F)c(C3CCC(N)CC3)c(F)c21
InChIInChI=1S/C18H19F2N3O2S/c1-2-23-15-10(16(24)13-17(25)22-26-18(13)23)7-11(19)12(14(15)20)8-3-5-9(21)6-4-8/h7-9H,2-6,21H2,1H3,(H,22,25)
InChIKeyUUFWNYDRIQHCAU-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.19
Rot. Bonds2

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

7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 19841305) has the molecular formula C18H19F2N3O2S and a molecular weight of 379.43 g/mol. Its IUPAC name is 7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID19841305
Molecular FormulaC18H19F2N3O2S
Molecular Weight379.43 g/mol
Exact Mass379.12
IUPAC Name7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCn1c2s[nH]c(=O)c2c(=O)c2cc(F)c(C3CCC(N)CC3)c(F)c21
InChIInChI=1S/C18H19F2N3O2S/c1-2-23-15-10(16(24)13-17(25)22-26-18(13)23)7-11(19)12(14(15)20)8-3-5-9(21)6-4-8/h7-9H,2-6,21H2,1H3,(H,22,25)
InChIKeyUUFWNYDRIQHCAU-UHFFFAOYSA-N
XLogP3.19
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione with MolForge

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Related Compounds

7-(3-aminocyclopentyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19841356
7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 57252677
7-[3-(aminomethyl)-4-chloropyrrolidin-1-yl]-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19981971
7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 54471257
7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 57015750
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 70849221
7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 21294379
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
6-fluoro-9-propyl-7-thiophen-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 89431341
9-cyclopropyl-7-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 66742227
9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 89431332

Frequently Asked Questions

What is the IUPAC name of 7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 19841305) is 7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is CCn1c2s[nH]c(=O)c2c(=O)c2cc(F)c(C3CCC(N)CC3)c(F)c21.
What is the InChIKey of 7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is UUFWNYDRIQHCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2S/c1-2-23-15-10(16(24)13-17(25)22-26-18(13)23)7-11(19)12(14(15)20)8-3-5-9(21)6-4-8/h7-9H,2-6,21H2,1H3,(H,22,25).
What are the key properties of 7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 379.43 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 19841305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).