3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one

C14H16N2O2 — CID 58442705

IUPAC3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one
SMILESCCc1nc2cc(C(=O)C(C)C)ccc2[nH]c1=O
InChIInChI=1S/C14H16N2O2/c1-4-10-14(18)16-11-6-5-9(7-12(11)15-10)13(17)8(2)3/h5-8H,4H2,1-3H3,(H,16,18)
InChIKeyZHYALPHKEDKVGF-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.32
Rot. Bonds3

About 3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one

3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one (PubChem CID 58442705) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one
PubChem CID58442705
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one
SMILESCCc1nc2cc(C(=O)C(C)C)ccc2[nH]c1=O
InChIInChI=1S/C14H16N2O2/c1-4-10-14(18)16-11-6-5-9(7-12(11)15-10)13(17)8(2)3/h5-8H,4H2,1-3H3,(H,16,18)
InChIKeyZHYALPHKEDKVGF-UHFFFAOYSA-N
XLogP2.32
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one?
The IUPAC name of 3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one (CID 58442705) is 3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one is CCc1nc2cc(C(=O)C(C)C)ccc2[nH]c1=O.
What is the InChIKey of 3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one?
The InChIKey is ZHYALPHKEDKVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-10-14(18)16-11-6-5-9(7-12(11)15-10)13(17)8(2)3/h5-8H,4H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one?
3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one has a molecular weight of 244.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 58442705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).