6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one

C14H20N2O — CID 84627180

IUPAC6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC1Nc2cc(C(C)(C)C)ccc2NC1=O
InChIInChI=1S/C14H20N2O/c1-5-10-13(17)16-11-7-6-9(14(2,3)4)8-12(11)15-10/h6-8,10,15H,5H2,1-4H3,(H,16,17)
InChIKeyAFPCRGLMMXPERW-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.13
Rot. Bonds1

About 6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one

6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 84627180) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID84627180
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC1Nc2cc(C(C)(C)C)ccc2NC1=O
InChIInChI=1S/C14H20N2O/c1-5-10-13(17)16-11-7-6-9(14(2,3)4)8-12(11)15-10/h6-8,10,15H,5H2,1-4H3,(H,16,17)
InChIKeyAFPCRGLMMXPERW-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one (CID 84627180) is 6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one is CCC1Nc2cc(C(C)(C)C)ccc2NC1=O.
What is the InChIKey of 6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is AFPCRGLMMXPERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-10-13(17)16-11-7-6-9(14(2,3)4)8-12(11)15-10/h6-8,10,15H,5H2,1-4H3,(H,16,17).
What are the key properties of 6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one?
6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 232.33 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 84627180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).