9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C16H16FN3O2S — CID 15020995

IUPAC9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCn1c2cc(N3CCCC3)c(F)cc2c(=O)c2c(=O)[nH]sc21
InChIInChI=1S/C16H16FN3O2S/c1-2-20-11-8-12(19-5-3-4-6-19)10(17)7-9(11)14(21)13-15(22)18-23-16(13)20/h7-8H,2-6H2,1H3,(H,18,22)
InChIKeyVTDBXFRVBCBLFQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.66
Rot. Bonds2

About 9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 15020995) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID15020995
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCn1c2cc(N3CCCC3)c(F)cc2c(=O)c2c(=O)[nH]sc21
InChIInChI=1S/C16H16FN3O2S/c1-2-20-11-8-12(19-5-3-4-6-19)10(17)7-9(11)14(21)13-15(22)18-23-16(13)20/h7-8H,2-6H2,1H3,(H,18,22)
InChIKeyVTDBXFRVBCBLFQ-UHFFFAOYSA-N
XLogP2.66
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 15020995) is 9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is CCn1c2cc(N3CCCC3)c(F)cc2c(=O)c2c(=O)[nH]sc21.
What is the InChIKey of 9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is VTDBXFRVBCBLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-2-20-11-8-12(19-5-3-4-6-19)10(17)7-9(11)14(21)13-15(22)18-23-16(13)20/h7-8H,2-6H2,1H3,(H,18,22).
What are the key properties of 9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 333.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-fluoro-7-pyrrolidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 15020995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).