2-(3-tert-butylphenyl)quinoxaline

C18H18N2 — CID 71817838

IUPAC2-(3-tert-butylphenyl)quinoxaline
SMILESCC(C)(C)c1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H18N2/c1-18(2,3)14-8-6-7-13(11-14)17-12-19-15-9-4-5-10-16(15)20-17/h4-12H,1-3H3
InChIKeyYKZKPESVLSKTBI-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.59
Rot. Bonds1

About 2-(3-tert-butylphenyl)quinoxaline

2-(3-tert-butylphenyl)quinoxaline (PubChem CID 71817838) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(3-tert-butylphenyl)quinoxaline.

Molecular Properties

Compound Name2-(3-tert-butylphenyl)quinoxaline
PubChem CID71817838
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-(3-tert-butylphenyl)quinoxaline
SMILESCC(C)(C)c1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H18N2/c1-18(2,3)14-8-6-7-13(11-14)17-12-19-15-9-4-5-10-16(15)20-17/h4-12H,1-3H3
InChIKeyYKZKPESVLSKTBI-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenyl)quinoxaline?
The IUPAC name of 2-(3-tert-butylphenyl)quinoxaline (CID 71817838) is 2-(3-tert-butylphenyl)quinoxaline.
What is the SMILES notation for 2-(3-tert-butylphenyl)quinoxaline?
The canonical SMILES for 2-(3-tert-butylphenyl)quinoxaline is CC(C)(C)c1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 2-(3-tert-butylphenyl)quinoxaline?
The InChIKey is YKZKPESVLSKTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-18(2,3)14-8-6-7-13(11-14)17-12-19-15-9-4-5-10-16(15)20-17/h4-12H,1-3H3.
What are the key properties of 2-(3-tert-butylphenyl)quinoxaline?
2-(3-tert-butylphenyl)quinoxaline has a molecular weight of 262.36 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenyl)quinoxaline is sourced from PubChem (CID 71817838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).