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

C17H17F2N3O2S — CID 19841356

IUPAC7-(3-aminocyclopentyl)-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)C3)c(F)c21
InChIInChI=1S/C17H17F2N3O2S/c1-2-22-14-9(15(23)12-16(24)21-25-17(12)22)6-10(18)11(13(14)19)7-3-4-8(20)5-7/h6-8H,2-5,20H2,1H3,(H,21,24)
InChIKeyMJVYIOHZIZENOO-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.80
Rot. Bonds2

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

7-(3-aminocyclopentyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 19841356) has the molecular formula C17H17F2N3O2S and a molecular weight of 365.41 g/mol. Its IUPAC name is 7-(3-aminocyclopentyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name7-(3-aminocyclopentyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID19841356
Molecular FormulaC17H17F2N3O2S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name7-(3-aminocyclopentyl)-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)C3)c(F)c21
InChIInChI=1S/C17H17F2N3O2S/c1-2-22-14-9(15(23)12-16(24)21-25-17(12)22)6-10(18)11(13(14)19)7-3-4-8(20)5-7/h6-8H,2-5,20H2,1H3,(H,21,24)
InChIKeyMJVYIOHZIZENOO-UHFFFAOYSA-N
XLogP2.80
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19841305
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
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
1-ethyl-7-[3-(ethylaminomethyl)cyclopentyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 19841351
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-(3-aminocyclopentyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 7-(3-aminocyclopentyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 19841356) is 7-(3-aminocyclopentyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 7-(3-aminocyclopentyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 7-(3-aminocyclopentyl)-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)C3)c(F)c21.
What is the InChIKey of 7-(3-aminocyclopentyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is MJVYIOHZIZENOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2S/c1-2-22-14-9(15(23)12-16(24)21-25-17(12)22)6-10(18)11(13(14)19)7-3-4-8(20)5-7/h6-8H,2-5,20H2,1H3,(H,21,24).
What are the key properties of 7-(3-aminocyclopentyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
7-(3-aminocyclopentyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 365.41 g/mol, XLogP of 2.80, 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-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 19841356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).