3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline

C28H36N4O — CID 102435606

IUPAC3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline
SMILESCC(C)CCCC(C)CCCC(C)COc1ccc2nc3nc4ccccc4nc3nc2c1
InChIInChI=1S/C28H36N4O/c1-19(2)9-7-10-20(3)11-8-12-21(4)18-33-22-15-16-25-26(17-22)32-28-27(31-25)29-23-13-5-6-14-24(23)30-28/h5-6,13-17,19-21H,7-12,18H2,1-4H3
InChIKeySVYWOGGPZVBSMM-UHFFFAOYSA-N
MW444.62 g/mol
LogP7.37
Rot. Bonds11

About 3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline

3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline (PubChem CID 102435606) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is 3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline.

Molecular Properties

Compound Name3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline
PubChem CID102435606
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC Name3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline
SMILESCC(C)CCCC(C)CCCC(C)COc1ccc2nc3nc4ccccc4nc3nc2c1
InChIInChI=1S/C28H36N4O/c1-19(2)9-7-10-20(3)11-8-12-21(4)18-33-22-15-16-25-26(17-22)32-28-27(31-25)29-23-13-5-6-14-24(23)30-28/h5-6,13-17,19-21H,7-12,18H2,1-4H3
InChIKeySVYWOGGPZVBSMM-UHFFFAOYSA-N
XLogP7.37
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline?
The IUPAC name of 3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline (CID 102435606) is 3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline.
What is the SMILES notation for 3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline?
The canonical SMILES for 3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline is CC(C)CCCC(C)CCCC(C)COc1ccc2nc3nc4ccccc4nc3nc2c1.
What is the InChIKey of 3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline?
The InChIKey is SVYWOGGPZVBSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O/c1-19(2)9-7-10-20(3)11-8-12-21(4)18-33-22-15-16-25-26(17-22)32-28-27(31-25)29-23-13-5-6-14-24(23)30-28/h5-6,13-17,19-21H,7-12,18H2,1-4H3.
What are the key properties of 3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline?
3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline has a molecular weight of 444.62 g/mol, XLogP of 7.37, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline is sourced from PubChem (CID 102435606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).