2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline

C16H20N2OS — CID 121418921

IUPAC2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline
SMILESC=CCCc1nc2ccc(OC)cc2nc1SC(C)C
InChIInChI=1S/C16H20N2OS/c1-5-6-7-14-16(20-11(2)3)18-15-10-12(19-4)8-9-13(15)17-14/h5,8-11H,1,6-7H2,2-4H3
InChIKeyWVBFXARJXFLYBO-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.26
Rot. Bonds6

About 2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline

2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline (PubChem CID 121418921) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline.

Molecular Properties

Compound Name2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline
PubChem CID121418921
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline
SMILESC=CCCc1nc2ccc(OC)cc2nc1SC(C)C
InChIInChI=1S/C16H20N2OS/c1-5-6-7-14-16(20-11(2)3)18-15-10-12(19-4)8-9-13(15)17-14/h5,8-11H,1,6-7H2,2-4H3
InChIKeyWVBFXARJXFLYBO-UHFFFAOYSA-N
XLogP4.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline?
The IUPAC name of 2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline (CID 121418921) is 2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline.
What is the SMILES notation for 2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline?
The canonical SMILES for 2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline is C=CCCc1nc2ccc(OC)cc2nc1SC(C)C.
What is the InChIKey of 2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline?
The InChIKey is WVBFXARJXFLYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-5-6-7-14-16(20-11(2)3)18-15-10-12(19-4)8-9-13(15)17-14/h5,8-11H,1,6-7H2,2-4H3.
What are the key properties of 2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline?
2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline has a molecular weight of 288.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-methoxy-3-propan-2-ylsulfanylquinoxaline is sourced from PubChem (CID 121418921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).