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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-1,5-Benzodiazepine, 2,3-dihydro-2-methyl-4-phenyl-
CID 613466
2,2-dimethyl-4-(2-phenylvinyl)-2,3-dihydro-1H-1,5-benzodiazepine
CID 5741699
2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 2728685
2-methyl-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 3786626
2-phenyl-1H-imidazo(4,5-b)phenazine
CID 4087853
2,4-Diphenyl-1H-1,5-benzodiazepine
CID 407897
4,7-dimethyl-2-phenyl-1H-1,5-benzodiazepine
CID 768630
N-(4-Isopropylbenzylidene)-N'-phenyl-1,4-phenylenediamine
CID 1809986
1H-1,5-Benzodiazepine, 2,3-dihydro-2-methyl-2,4-bis(4-methylphenyl)-
CID 4548171
1H-1,5-Benzodiazepine, 2,4-bis(4-chlorophenyl)-2,3-dihydro-2-methyl-
CID 11291964
2,4-Bis(3-chlorophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 49798372
2-phenyl-4-(2-phenylvinyl)-2,3-dihydro-1H-1,5-benzodiazepine
CID 5340070

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).