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

C21H16F3N3O2S — CID 57015750

IUPAC7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESNC1CCC(c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3-c2ccc(F)cc2F)C1
InChIInChI=1S/C21H16F3N3O2S/c22-10-2-4-16(15(24)6-10)27-17-8-12(9-1-3-11(25)5-9)14(23)7-13(17)19(28)18-20(29)26-30-21(18)27/h2,4,6-9,11H,1,3,5,25H2,(H,26,29)
InChIKeyKEVRHGMSZLKCBD-UHFFFAOYSA-N
MW431.44 g/mol
LogP3.91
Rot. Bonds2

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

7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 57015750) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID57015750
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC Name7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESNC1CCC(c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3-c2ccc(F)cc2F)C1
InChIInChI=1S/C21H16F3N3O2S/c22-10-2-4-16(15(24)6-10)27-17-8-12(9-1-3-11(25)5-9)14(23)7-13(17)19(28)18-20(29)26-30-21(18)27/h2,4,6-9,11H,1,3,5,25H2,(H,26,29)
InChIKeyKEVRHGMSZLKCBD-UHFFFAOYSA-N
XLogP3.91
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 57252677
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-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19841356
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19841305
7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
CID 19841264
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-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67916341
7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 54526762
9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19981974
6-fluoro-9-methyl-7-(methylamino)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 20713893
7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
CID 66742002

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 57015750) is 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is NC1CCC(c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3-c2ccc(F)cc2F)C1.
What is the InChIKey of 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is KEVRHGMSZLKCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c22-10-2-4-16(15(24)6-10)27-17-8-12(9-1-3-11(25)5-9)14(23)7-13(17)19(28)18-20(29)26-30-21(18)27/h2,4,6-9,11H,1,3,5,25H2,(H,26,29).
What are the key properties of 7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 431.44 g/mol, XLogP of 3.91, 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-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 57015750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).