3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one

C17H14FNO4S — CID 22425160

IUPAC3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(F)c3)c(=O)c2c1
InChIInChI=1S/C17H14FNO4S/c1-10-3-5-12(8-14(10)18)24(21,22)16-9-19-15-6-4-11(23-2)7-13(15)17(16)20/h3-9H,1-2H3,(H,19,20)
InChIKeyFETLOAJCNPPYSX-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.82
Rot. Bonds3

About 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one

3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one (PubChem CID 22425160) has the molecular formula C17H14FNO4S and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one
PubChem CID22425160
Molecular FormulaC17H14FNO4S
Molecular Weight347.37 g/mol
Exact Mass347.06
IUPAC Name3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(F)c3)c(=O)c2c1
InChIInChI=1S/C17H14FNO4S/c1-10-3-5-12(8-14(10)18)24(21,22)16-9-19-15-6-4-11(23-2)7-13(15)17(16)20/h3-9H,1-2H3,(H,19,20)
InChIKeyFETLOAJCNPPYSX-UHFFFAOYSA-N
XLogP2.82
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one (CID 22425160) is 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one is COc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)c(F)c3)c(=O)c2c1.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one?
The InChIKey is FETLOAJCNPPYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4S/c1-10-3-5-12(8-14(10)18)24(21,22)16-9-19-15-6-4-11(23-2)7-13(15)17(16)20/h3-9H,1-2H3,(H,19,20).
What are the key properties of 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one?
3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one has a molecular weight of 347.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 22425160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).