7-fluoro-3-methylsulfanyl-1H-quinolin-4-one

C10H8FNOS — CID 10242187

IUPAC7-fluoro-3-methylsulfanyl-1H-quinolin-4-one
SMILESCSc1c[nH]c2cc(F)ccc2c1=O
InChIInChI=1S/C10H8FNOS/c1-14-9-5-12-8-4-6(11)2-3-7(8)10(9)13/h2-5H,1H3,(H,12,13)
InChIKeyZXTACUBQGTXNRN-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.39
Rot. Bonds1

About 7-fluoro-3-methylsulfanyl-1H-quinolin-4-one

7-fluoro-3-methylsulfanyl-1H-quinolin-4-one (PubChem CID 10242187) has the molecular formula C10H8FNOS and a molecular weight of 209.25 g/mol. Its IUPAC name is 7-fluoro-3-methylsulfanyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-methylsulfanyl-1H-quinolin-4-one
PubChem CID10242187
Molecular FormulaC10H8FNOS
Molecular Weight209.25 g/mol
Exact Mass209.03
IUPAC Name7-fluoro-3-methylsulfanyl-1H-quinolin-4-one
SMILESCSc1c[nH]c2cc(F)ccc2c1=O
InChIInChI=1S/C10H8FNOS/c1-14-9-5-12-8-4-6(11)2-3-7(8)10(9)13/h2-5H,1H3,(H,12,13)
InChIKeyZXTACUBQGTXNRN-UHFFFAOYSA-N
XLogP2.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methylsulfanyl-1H-quinolin-4-one?
The IUPAC name of 7-fluoro-3-methylsulfanyl-1H-quinolin-4-one (CID 10242187) is 7-fluoro-3-methylsulfanyl-1H-quinolin-4-one.
What is the SMILES notation for 7-fluoro-3-methylsulfanyl-1H-quinolin-4-one?
The canonical SMILES for 7-fluoro-3-methylsulfanyl-1H-quinolin-4-one is CSc1c[nH]c2cc(F)ccc2c1=O.
What is the InChIKey of 7-fluoro-3-methylsulfanyl-1H-quinolin-4-one?
The InChIKey is ZXTACUBQGTXNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNOS/c1-14-9-5-12-8-4-6(11)2-3-7(8)10(9)13/h2-5H,1H3,(H,12,13).
What are the key properties of 7-fluoro-3-methylsulfanyl-1H-quinolin-4-one?
7-fluoro-3-methylsulfanyl-1H-quinolin-4-one has a molecular weight of 209.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methylsulfanyl-1H-quinolin-4-one is sourced from PubChem (CID 10242187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).