2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline

C26H28N2 — CID 146412109

IUPAC2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline
SMILESCCCCC1(c2ccc(C)cc2)Nc2ccccc2N=C1c1ccc(C)cc1
InChIInChI=1S/C26H28N2/c1-4-5-18-26(22-16-12-20(3)13-17-22)25(21-14-10-19(2)11-15-21)27-23-8-6-7-9-24(23)28-26/h6-17,28H,4-5,18H2,1-3H3
InChIKeyNGEDZLZXSUJGBV-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.94
Rot. Bonds5

About 2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline

2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline (PubChem CID 146412109) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline.

Molecular Properties

Compound Name2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline
PubChem CID146412109
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline
SMILESCCCCC1(c2ccc(C)cc2)Nc2ccccc2N=C1c1ccc(C)cc1
InChIInChI=1S/C26H28N2/c1-4-5-18-26(22-16-12-20(3)13-17-22)25(21-14-10-19(2)11-15-21)27-23-8-6-7-9-24(23)28-26/h6-17,28H,4-5,18H2,1-3H3
InChIKeyNGEDZLZXSUJGBV-UHFFFAOYSA-N
XLogP6.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline?
The IUPAC name of 2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline (CID 146412109) is 2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline.
What is the SMILES notation for 2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline?
The canonical SMILES for 2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline is CCCCC1(c2ccc(C)cc2)Nc2ccccc2N=C1c1ccc(C)cc1.
What is the InChIKey of 2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline?
The InChIKey is NGEDZLZXSUJGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/c1-4-5-18-26(22-16-12-20(3)13-17-22)25(21-14-10-19(2)11-15-21)27-23-8-6-7-9-24(23)28-26/h6-17,28H,4-5,18H2,1-3H3.
What are the key properties of 2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline?
2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline has a molecular weight of 368.52 g/mol, XLogP of 6.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline is sourced from PubChem (CID 146412109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).