8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline

C15H24N2 — CID 84627352

IUPAC8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCC1CNc2c(cccc2C(C)(C)C)N1C
InChIInChI=1S/C15H24N2/c1-6-11-10-16-14-12(15(2,3)4)8-7-9-13(14)17(11)5/h7-9,11,16H,6,10H2,1-5H3
InChIKeyXWZYNDRFRSWVTQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.62
Rot. Bonds1

About 8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline

8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 84627352) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID84627352
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCC1CNc2c(cccc2C(C)(C)C)N1C
InChIInChI=1S/C15H24N2/c1-6-11-10-16-14-12(15(2,3)4)8-7-9-13(14)17(11)5/h7-9,11,16H,6,10H2,1-5H3
InChIKeyXWZYNDRFRSWVTQ-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline (CID 84627352) is 8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline is CCC1CNc2c(cccc2C(C)(C)C)N1C.
What is the InChIKey of 8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is XWZYNDRFRSWVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-11-10-16-14-12(15(2,3)4)8-7-9-13(14)17(11)5/h7-9,11,16H,6,10H2,1-5H3.
What are the key properties of 8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline?
8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 232.37 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 84627352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).