7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one

C12H12FNO2S — CID 10220640

IUPAC7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one
SMILESCn1cc(CS(C)=O)c(=O)c2ccc(F)cc21
InChIInChI=1S/C12H12FNO2S/c1-14-6-8(7-17(2)16)12(15)10-4-3-9(13)5-11(10)14/h3-6H,7H2,1-2H3
InChIKeyHARLSMOMQBJINT-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.56
Rot. Bonds2

About 7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one

7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one (PubChem CID 10220640) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is 7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one
PubChem CID10220640
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one
SMILESCn1cc(CS(C)=O)c(=O)c2ccc(F)cc21
InChIInChI=1S/C12H12FNO2S/c1-14-6-8(7-17(2)16)12(15)10-4-3-9(13)5-11(10)14/h3-6H,7H2,1-2H3
InChIKeyHARLSMOMQBJINT-UHFFFAOYSA-N
XLogP1.56
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.56
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-(methylsulfinylmethyl)quinolin-4-one?
The IUPAC name of 7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one (CID 10220640) is 7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one.
What is the SMILES notation for 7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one?
The canonical SMILES for 7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one is Cn1cc(CS(C)=O)c(=O)c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one?
The InChIKey is HARLSMOMQBJINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S/c1-14-6-8(7-17(2)16)12(15)10-4-3-9(13)5-11(10)14/h3-6H,7H2,1-2H3.
What are the key properties of 7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one?
7-fluoro-1-methyl-3-(methylsulfinylmethyl)quinolin-4-one has a molecular weight of 253.30 g/mol, XLogP of 1.56, 2 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-(methylsulfinylmethyl)quinolin-4-one is sourced from PubChem (CID 10220640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).