tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate

C17H26N2O2 — CID 84643816

IUPACtert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C17H26N2O2/c1-16(2,3)12-7-8-14-13(11-12)18-9-10-19(14)15(20)21-17(4,5)6/h7-8,11,18H,9-10H2,1-6H3
InChIKeyLICSKBJGPSKQPZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.15
Rot. Bonds

About tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate

tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate (PubChem CID 84643816) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
PubChem CID84643816
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C17H26N2O2/c1-16(2,3)12-7-8-14-13(11-12)18-9-10-19(14)15(20)21-17(4,5)6/h7-8,11,18H,9-10H2,1-6H3
InChIKeyLICSKBJGPSKQPZ-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-bromo-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84645479
tert-butyl 7-iodo-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 133062628
tert-butyl 5-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84633187
5-bromo-2,3-dihydro-1H-indole;tert-butyl 5-bromo-2,3-dihydroindole-1-carboxylate
CID 158223864
tert-butyl 5-chloro-7-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84643049
tert-butyl 6-(2-aminopropan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469429
3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid
CID 91566156
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 7-(2-ethoxypropan-2-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 167066833
4-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine-8-carboxylic acid
CID 154577662
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate?
The IUPAC name of tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate (CID 84643816) is tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate.
What is the SMILES notation for tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate?
The canonical SMILES for tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate is CC(C)(C)OC(=O)N1CCNc2cc(C(C)(C)C)ccc21.
What is the InChIKey of tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate?
The InChIKey is LICSKBJGPSKQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2,3)12-7-8-14-13(11-12)18-9-10-19(14)15(20)21-17(4,5)6/h7-8,11,18H,9-10H2,1-6H3.
What are the key properties of tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate?
tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 4.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate is sourced from PubChem (CID 84643816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).