6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione

C16H10FNO2S — CID 3910131

IUPAC6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione
SMILESFc1ccccc1-c1cc(=S)c2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C16H10FNO2S/c17-11-4-2-1-3-9(11)13-7-16(21)10-5-14-15(20-8-19-14)6-12(10)18-13/h1-7H,8H2,(H,18,21)
InChIKeyRTKBTOBVVVSYDO-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.43
Rot. Bonds1

About 6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione

6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione (PubChem CID 3910131) has the molecular formula C16H10FNO2S and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione.

Molecular Properties

Compound Name6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione
PubChem CID3910131
Molecular FormulaC16H10FNO2S
Molecular Weight299.33 g/mol
Exact Mass299.04
IUPAC Name6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione
SMILESFc1ccccc1-c1cc(=S)c2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C16H10FNO2S/c17-11-4-2-1-3-9(11)13-7-16(21)10-5-14-15(20-8-19-14)6-12(10)18-13/h1-7H,8H2,(H,18,21)
InChIKeyRTKBTOBVVVSYDO-UHFFFAOYSA-N
XLogP4.43
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione 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 6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione?
The IUPAC name of 6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione (CID 3910131) is 6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione.
What is the SMILES notation for 6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione?
The canonical SMILES for 6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione is Fc1ccccc1-c1cc(=S)c2cc3c(cc2[nH]1)OCO3.
What is the InChIKey of 6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione?
The InChIKey is RTKBTOBVVVSYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2S/c17-11-4-2-1-3-9(11)13-7-16(21)10-5-14-15(20-8-19-14)6-12(10)18-13/h1-7H,8H2,(H,18,21).
What are the key properties of 6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione?
6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione has a molecular weight of 299.33 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione is sourced from PubChem (CID 3910131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).