4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one

C13H18N2O — CID 79291560

IUPAC4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one
SMILESCCN1c2ccc(C)cc2NC(=O)C1(C)C
InChIInChI=1S/C13H18N2O/c1-5-15-11-7-6-9(2)8-10(11)14-12(16)13(15,3)4/h6-8H,5H2,1-4H3,(H,14,16)
InChIKeyGGSABHKPUMIFQM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.55
Rot. Bonds1

About 4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one

4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one (PubChem CID 79291560) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one
PubChem CID79291560
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one
SMILESCCN1c2ccc(C)cc2NC(=O)C1(C)C
InChIInChI=1S/C13H18N2O/c1-5-15-11-7-6-9(2)8-10(11)14-12(16)13(15,3)4/h6-8H,5H2,1-4H3,(H,14,16)
InChIKeyGGSABHKPUMIFQM-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one?
The IUPAC name of 4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one (CID 79291560) is 4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one is CCN1c2ccc(C)cc2NC(=O)C1(C)C.
What is the InChIKey of 4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one?
The InChIKey is GGSABHKPUMIFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-5-15-11-7-6-9(2)8-10(11)14-12(16)13(15,3)4/h6-8H,5H2,1-4H3,(H,14,16).
What are the key properties of 4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one?
4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 79291560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).