7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one

C11H10FNO2S — CID 11776383

IUPAC7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one
SMILESCn1cc([S@@](C)=O)c(=O)c2ccc(F)cc21
InChIInChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3/t16-/m1/s1
InChIKeyUYGONJYYUKVHDD-MRXNPFEDSA-N
MW239.27 g/mol
LogP1.41
Rot. Bonds1

About 7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one

7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one (PubChem CID 11776383) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one
PubChem CID11776383
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one
SMILESCn1cc([S@@](C)=O)c(=O)c2ccc(F)cc21
InChIInChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3/t16-/m1/s1
InChIKeyUYGONJYYUKVHDD-MRXNPFEDSA-N
XLogP1.41
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one?
The IUPAC name of 7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one (CID 11776383) is 7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one.
What is the SMILES notation for 7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one?
The canonical SMILES for 7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one is Cn1cc([S@@](C)=O)c(=O)c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one?
The InChIKey is UYGONJYYUKVHDD-MRXNPFEDSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3/t16-/m1/s1.
What are the key properties of 7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one?
7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one has a molecular weight of 239.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-3-[(R)-methylsulfinyl]quinolin-4-one is sourced from PubChem (CID 11776383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).