2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline

C22H34N2 — CID 134415208

IUPAC2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline
SMILESCCCCCCC(C)(C)c1ccc2nc(C(C)(C)CC)cnc2c1
InChIInChI=1S/C22H34N2/c1-7-9-10-11-14-22(5,6)17-12-13-18-19(15-17)23-16-20(24-18)21(3,4)8-2/h12-13,15-16H,7-11,14H2,1-6H3
InChIKeyKCXKJIVOXSLQFK-UHFFFAOYSA-N
MW326.53 g/mol
LogP6.57
Rot. Bonds8

About 2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline

2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline (PubChem CID 134415208) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline
PubChem CID134415208
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline
SMILESCCCCCCC(C)(C)c1ccc2nc(C(C)(C)CC)cnc2c1
InChIInChI=1S/C22H34N2/c1-7-9-10-11-14-22(5,6)17-12-13-18-19(15-17)23-16-20(24-18)21(3,4)8-2/h12-13,15-16H,7-11,14H2,1-6H3
InChIKeyKCXKJIVOXSLQFK-UHFFFAOYSA-N
XLogP6.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)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

3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline
CID 134415262
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426
2-(2-methylnonan-2-yl)-8-(5-methylundecan-5-yl)quinoxaline
CID 134415178
6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline
CID 134414962
2-tert-butyl-6-methylquinoxaline;propane
CID 142320460
3-(2-methyloctan-2-yl)pyridine
CID 126558457
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984
5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol
CID 135505763
2-chloro-4-(2-methylheptan-2-yl)-1-pentoxybenzene
CID 54425334
4-(2-methyloctan-2-yl)-1H-pyrazole
CID 155027253
5-(2-methylheptan-2-yl)-2-octoxybenzenesulfonic acid
CID 54274624

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline?
The IUPAC name of 2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline (CID 134415208) is 2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline?
The canonical SMILES for 2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline is CCCCCCC(C)(C)c1ccc2nc(C(C)(C)CC)cnc2c1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline?
The InChIKey is KCXKJIVOXSLQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c1-7-9-10-11-14-22(5,6)17-12-13-18-19(15-17)23-16-20(24-18)21(3,4)8-2/h12-13,15-16H,7-11,14H2,1-6H3.
What are the key properties of 2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline?
2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline has a molecular weight of 326.53 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline is sourced from PubChem (CID 134415208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).