3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one

C17H14N2OS — CID 162371392

IUPAC3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one
SMILESCC=Cn1c(=O)c(Sc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H14N2OS/c1-2-12-19-15-11-7-6-10-14(15)18-16(17(19)20)21-13-8-4-3-5-9-13/h2-12H,1H3
InChIKeyFVAXYOSBDWFTET-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.04
Rot. Bonds3

About 3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one

3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one (PubChem CID 162371392) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one.

Molecular Properties

Compound Name3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one
PubChem CID162371392
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one
SMILESCC=Cn1c(=O)c(Sc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H14N2OS/c1-2-12-19-15-11-7-6-10-14(15)18-16(17(19)20)21-13-8-4-3-5-9-13/h2-12H,1H3
InChIKeyFVAXYOSBDWFTET-UHFFFAOYSA-N
XLogP4.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one?
The IUPAC name of 3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one (CID 162371392) is 3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one.
What is the SMILES notation for 3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one?
The canonical SMILES for 3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one is CC=Cn1c(=O)c(Sc2ccccc2)nc2ccccc21.
What is the InChIKey of 3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one?
The InChIKey is FVAXYOSBDWFTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-2-12-19-15-11-7-6-10-14(15)18-16(17(19)20)21-13-8-4-3-5-9-13/h2-12H,1H3.
What are the key properties of 3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one?
3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one has a molecular weight of 294.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-1-prop-1-enylquinoxalin-2-one is sourced from PubChem (CID 162371392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).