3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline

C25H39ClN2 — CID 134415262

IUPAC3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline
SMILESCCCCCCC(C)(CC)c1nc2ccc(C(C)(C)CCCC)cc2nc1Cl
InChIInChI=1S/C25H39ClN2/c1-7-10-12-13-17-25(6,9-3)22-23(26)28-21-18-19(14-15-20(21)27-22)24(4,5)16-11-8-2/h14-15,18H,7-13,16-17H2,1-6H3
InChIKeyGGBLJDGYDSSWEP-UHFFFAOYSA-N
MW403.05 g/mol
LogP8.39
Rot. Bonds11

About 3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline

3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline (PubChem CID 134415262) has the molecular formula C25H39ClN2 and a molecular weight of 403.05 g/mol. Its IUPAC name is 3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline.

Molecular Properties

Compound Name3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline
PubChem CID134415262
Molecular FormulaC25H39ClN2
Molecular Weight403.05 g/mol
Exact Mass402.28
IUPAC Name3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline
SMILESCCCCCCC(C)(CC)c1nc2ccc(C(C)(C)CCCC)cc2nc1Cl
InChIInChI=1S/C25H39ClN2/c1-7-10-12-13-17-25(6,9-3)22-23(26)28-21-18-19(14-15-20(21)27-22)24(4,5)16-11-8-2/h14-15,18H,7-13,16-17H2,1-6H3
InChIKeyGGBLJDGYDSSWEP-UHFFFAOYSA-N
XLogP8.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.05
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline with MolForge

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Related Compounds

2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline
CID 134415208
2-tert-butyl-3-methoxy-6-(4-methyloctan-4-yl)quinoxaline
CID 134415024
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426
2-chloro-4-(2-methylheptan-2-yl)-1-pentoxybenzene
CID 54425334
4-(5-methylundecan-5-yl)pyridine
CID 146178387
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
2-chloro-5-(3-methylnonan-3-yl)thiophene
CID 139460547
5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine
CID 146377317
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984
5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol
CID 135505763
5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146379373
1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole
CID 154980919

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline?
The IUPAC name of 3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline (CID 134415262) is 3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline.
What is the SMILES notation for 3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline?
The canonical SMILES for 3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline is CCCCCCC(C)(CC)c1nc2ccc(C(C)(C)CCCC)cc2nc1Cl.
What is the InChIKey of 3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline?
The InChIKey is GGBLJDGYDSSWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39ClN2/c1-7-10-12-13-17-25(6,9-3)22-23(26)28-21-18-19(14-15-20(21)27-22)24(4,5)16-11-8-2/h14-15,18H,7-13,16-17H2,1-6H3.
What are the key properties of 3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline?
3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline has a molecular weight of 403.05 g/mol, XLogP of 8.39, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline is sourced from PubChem (CID 134415262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).