1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone

C16H11FN2OS — CID 2359893

IUPAC1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone
SMILESO=C(CSc1cnc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2OS/c17-12-7-5-11(6-8-12)15(20)10-21-16-9-18-13-3-1-2-4-14(13)19-16/h1-9H,10H2
InChIKeyJMJWWFKUIXGPLN-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.74
Rot. Bonds4

About 1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone

1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone (PubChem CID 2359893) has the molecular formula C16H11FN2OS and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone
PubChem CID2359893
Molecular FormulaC16H11FN2OS
Molecular Weight298.34 g/mol
Exact Mass298.06
IUPAC Name1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone
SMILESO=C(CSc1cnc2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C16H11FN2OS/c17-12-7-5-11(6-8-12)15(20)10-21-16-9-18-13-3-1-2-4-14(13)19-16/h1-9H,10H2
InChIKeyJMJWWFKUIXGPLN-UHFFFAOYSA-N
XLogP3.74
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone (CID 2359893) is 1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone is O=C(CSc1cnc2ccccc2n1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone?
The InChIKey is JMJWWFKUIXGPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2OS/c17-12-7-5-11(6-8-12)15(20)10-21-16-9-18-13-3-1-2-4-14(13)19-16/h1-9H,10H2.
What are the key properties of 1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone?
1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone has a molecular weight of 298.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-quinoxalin-2-ylsulfanylethanone is sourced from PubChem (CID 2359893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).