2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone

C20H18FNO2S — CID 7549672

IUPAC2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2cc(C)c3cccc(C)c3n2)cc1F
InChIInChI=1S/C20H18FNO2S/c1-12-5-4-6-15-13(2)9-19(22-20(12)15)25-11-17(23)14-7-8-18(24-3)16(21)10-14/h4-10H,11H2,1-3H3
InChIKeyBVCLOYFPCMGRPY-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.97
Rot. Bonds5

About 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone

2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 7549672) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID7549672
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC Name2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSc2cc(C)c3cccc(C)c3n2)cc1F
InChIInChI=1S/C20H18FNO2S/c1-12-5-4-6-15-13(2)9-19(22-20(12)15)25-11-17(23)14-7-8-18(24-3)16(21)10-14/h4-10H,11H2,1-3H3
InChIKeyBVCLOYFPCMGRPY-UHFFFAOYSA-N
XLogP4.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 7549672) is 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)CSc2cc(C)c3cccc(C)c3n2)cc1F.
What is the InChIKey of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is BVCLOYFPCMGRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-12-5-4-6-15-13(2)9-19(22-20(12)15)25-11-17(23)14-7-8-18(24-3)16(21)10-14/h4-10H,11H2,1-3H3.
What are the key properties of 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 355.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 7549672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).