2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone

C20H16FNO3S — CID 3208232

IUPAC2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone
SMILESCCc1cc2cc3c(cc2nc1SCC(=O)c1ccccc1F)OCO3
InChIInChI=1S/C20H16FNO3S/c1-2-12-7-13-8-18-19(25-11-24-18)9-16(13)22-20(12)26-10-17(23)14-5-3-4-6-15(14)21/h3-9H,2,10-11H2,1H3
InChIKeyRYQBRWYXQCMSSY-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.64
Rot. Bonds5

About 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone

2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone (PubChem CID 3208232) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone
PubChem CID3208232
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC Name2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone
SMILESCCc1cc2cc3c(cc2nc1SCC(=O)c1ccccc1F)OCO3
InChIInChI=1S/C20H16FNO3S/c1-2-12-7-13-8-18-19(25-11-24-18)9-16(13)22-20(12)26-10-17(23)14-5-3-4-6-15(14)21/h3-9H,2,10-11H2,1H3
InChIKeyRYQBRWYXQCMSSY-UHFFFAOYSA-N
XLogP4.64
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone 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 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone (CID 3208232) is 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone is CCc1cc2cc3c(cc2nc1SCC(=O)c1ccccc1F)OCO3.
What is the InChIKey of 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone?
The InChIKey is RYQBRWYXQCMSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S/c1-2-12-7-13-8-18-19(25-11-24-18)9-16(13)22-20(12)26-10-17(23)14-5-3-4-6-15(14)21/h3-9H,2,10-11H2,1H3.
What are the key properties of 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone?
2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone has a molecular weight of 369.42 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 3208232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).