2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one

C16H12FNOS — CID 141223476

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one
SMILESO=C1CC(SCc2ccc(F)cc2)=Nc2ccccc21
InChIInChI=1S/C16H12FNOS/c17-12-7-5-11(6-8-12)10-20-16-9-15(19)13-3-1-2-4-14(13)18-16/h1-8H,9-10H2
InChIKeyOFKIWJHHHPLQKY-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.38
Rot. Bonds2

About 2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one

2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one (PubChem CID 141223476) has the molecular formula C16H12FNOS and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one
PubChem CID141223476
Molecular FormulaC16H12FNOS
Molecular Weight285.34 g/mol
Exact Mass285.06
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one
SMILESO=C1CC(SCc2ccc(F)cc2)=Nc2ccccc21
InChIInChI=1S/C16H12FNOS/c17-12-7-5-11(6-8-12)10-20-16-9-15(19)13-3-1-2-4-14(13)18-16/h1-8H,9-10H2
InChIKeyOFKIWJHHHPLQKY-UHFFFAOYSA-N
XLogP4.38
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one (CID 141223476) is 2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one is O=C1CC(SCc2ccc(F)cc2)=Nc2ccccc21.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one?
The InChIKey is OFKIWJHHHPLQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS/c17-12-7-5-11(6-8-12)10-20-16-9-15(19)13-3-1-2-4-14(13)18-16/h1-8H,9-10H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one?
2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one has a molecular weight of 285.34 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-3H-quinolin-4-one is sourced from PubChem (CID 141223476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).