3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one

C16H12FN3O2S — CID 54156278

IUPAC3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one
SMILESCCc1oc(Nc2nccs2)c2c(=O)c3cccc(F)c3[nH]c12
InChIInChI=1S/C16H12FN3O2S/c1-2-10-13-11(15(22-10)20-16-18-6-7-23-16)14(21)8-4-3-5-9(17)12(8)19-13/h3-7,19H,2H2,1H3,(H,18,20)
InChIKeyWPFHWIKSSYJZDG-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.18
Rot. Bonds3

About 3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one

3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one (PubChem CID 54156278) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one.

Molecular Properties

Compound Name3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one
PubChem CID54156278
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC Name3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one
SMILESCCc1oc(Nc2nccs2)c2c(=O)c3cccc(F)c3[nH]c12
InChIInChI=1S/C16H12FN3O2S/c1-2-10-13-11(15(22-10)20-16-18-6-7-23-16)14(21)8-4-3-5-9(17)12(8)19-13/h3-7,19H,2H2,1H3,(H,18,20)
InChIKeyWPFHWIKSSYJZDG-UHFFFAOYSA-N
XLogP4.18
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one?
The IUPAC name of 3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one (CID 54156278) is 3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one.
What is the SMILES notation for 3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one?
The canonical SMILES for 3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one is CCc1oc(Nc2nccs2)c2c(=O)c3cccc(F)c3[nH]c12.
What is the InChIKey of 3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one?
The InChIKey is WPFHWIKSSYJZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c1-2-10-13-11(15(22-10)20-16-18-6-7-23-16)14(21)8-4-3-5-9(17)12(8)19-13/h3-7,19H,2H2,1H3,(H,18,20).
What are the key properties of 3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one?
3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one has a molecular weight of 329.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-1-(1,3-thiazol-2-ylamino)-4H-furo[3,4-b]quinolin-9-one is sourced from PubChem (CID 54156278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).