4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one

C15H22N2O — CID 71048281

IUPAC4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one
SMILESCCN1c2ccccc2NC(=O)C1C(C)(C)CC
InChIInChI=1S/C15H22N2O/c1-5-15(3,4)13-14(18)16-11-9-7-8-10-12(11)17(13)6-2/h7-10,13H,5-6H2,1-4H3,(H,16,18)
InChIKeyFWBVYEFXZWTTKM-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.27
Rot. Bonds3

About 4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one

4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one (PubChem CID 71048281) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one
PubChem CID71048281
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one
SMILESCCN1c2ccccc2NC(=O)C1C(C)(C)CC
InChIInChI=1S/C15H22N2O/c1-5-15(3,4)13-14(18)16-11-9-7-8-10-12(11)17(13)6-2/h7-10,13H,5-6H2,1-4H3,(H,16,18)
InChIKeyFWBVYEFXZWTTKM-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one (CID 71048281) is 4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one is CCN1c2ccccc2NC(=O)C1C(C)(C)CC.
What is the InChIKey of 4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is FWBVYEFXZWTTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-15(3,4)13-14(18)16-11-9-7-8-10-12(11)17(13)6-2/h7-10,13H,5-6H2,1-4H3,(H,16,18).
What are the key properties of 4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one?
4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 71048281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).