2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline

C20H16N2OS — CID 134946897

IUPAC2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline
SMILESCOc1cccc(-c2ccc(C)s2)c1-c1cnc2ccccc2n1
InChIInChI=1S/C20H16N2OS/c1-13-10-11-19(24-13)14-6-5-9-18(23-2)20(14)17-12-21-15-7-3-4-8-16(15)22-17/h3-12H,1-2H3
InChIKeyKFMHEAVIFNAXOK-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.34
Rot. Bonds3

About 2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline

2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline (PubChem CID 134946897) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline.

Molecular Properties

Compound Name2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline
PubChem CID134946897
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline
SMILESCOc1cccc(-c2ccc(C)s2)c1-c1cnc2ccccc2n1
InChIInChI=1S/C20H16N2OS/c1-13-10-11-19(24-13)14-6-5-9-18(23-2)20(14)17-12-21-15-7-3-4-8-16(15)22-17/h3-12H,1-2H3
InChIKeyKFMHEAVIFNAXOK-UHFFFAOYSA-N
XLogP5.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline?
The IUPAC name of 2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline (CID 134946897) is 2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline.
What is the SMILES notation for 2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline?
The canonical SMILES for 2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline is COc1cccc(-c2ccc(C)s2)c1-c1cnc2ccccc2n1.
What is the InChIKey of 2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline?
The InChIKey is KFMHEAVIFNAXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-13-10-11-19(24-13)14-6-5-9-18(23-2)20(14)17-12-21-15-7-3-4-8-16(15)22-17/h3-12H,1-2H3.
What are the key properties of 2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline?
2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline has a molecular weight of 332.43 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-(5-methylthiophen-2-yl)phenyl]quinoxaline is sourced from PubChem (CID 134946897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).