2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one

C16H12FNOS — CID 23614336

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one
SMILESO=c1cc(SCc2ccc(F)cc2)[nH]c2ccccc12
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/h1-9H,10H2,(H,18,19)
InChIKeyVMRUJAPJPISAPL-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.96
Rot. Bonds3

About 2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one

2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one (PubChem CID 23614336) has the molecular formula C16H12FNOS and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one
PubChem CID23614336
Molecular FormulaC16H12FNOS
Molecular Weight285.34 g/mol
Exact Mass285.06
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one
SMILESO=c1cc(SCc2ccc(F)cc2)[nH]c2ccccc12
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/h1-9H,10H2,(H,18,19)
InChIKeyVMRUJAPJPISAPL-UHFFFAOYSA-N
XLogP3.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one (CID 23614336) is 2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one is O=c1cc(SCc2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one?
The InChIKey is VMRUJAPJPISAPL-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/h1-9H,10H2,(H,18,19).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one?
2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one has a molecular weight of 285.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one is sourced from PubChem (CID 23614336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).