2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline

C17H18N2S — CID 10850489

IUPAC2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline
SMILESCC(C)CCc1ccc(-c2cnc3ccccc3n2)s1
InChIInChI=1S/C17H18N2S/c1-12(2)7-8-13-9-10-17(20-13)16-11-18-14-5-3-4-6-15(14)19-16/h3-6,9-12H,7-8H2,1-2H3
InChIKeyGYCPNPPTUYDXAY-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.95
Rot. Bonds4

About 2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline

2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline (PubChem CID 10850489) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline.

Molecular Properties

Compound Name2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline
PubChem CID10850489
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline
SMILESCC(C)CCc1ccc(-c2cnc3ccccc3n2)s1
InChIInChI=1S/C17H18N2S/c1-12(2)7-8-13-9-10-17(20-13)16-11-18-14-5-3-4-6-15(14)19-16/h3-6,9-12H,7-8H2,1-2H3
InChIKeyGYCPNPPTUYDXAY-UHFFFAOYSA-N
XLogP4.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline?
The IUPAC name of 2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline (CID 10850489) is 2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline.
What is the SMILES notation for 2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline?
The canonical SMILES for 2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline is CC(C)CCc1ccc(-c2cnc3ccccc3n2)s1.
What is the InChIKey of 2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline?
The InChIKey is GYCPNPPTUYDXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12(2)7-8-13-9-10-17(20-13)16-11-18-14-5-3-4-6-15(14)19-16/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of 2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline?
2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline has a molecular weight of 282.41 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylbutyl)thiophen-2-yl]quinoxaline is sourced from PubChem (CID 10850489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).