1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one

C13H18N2O — CID 84623041

IUPAC1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)CNc2cccc(C(C)C)c21
InChIInChI=1S/C13H18N2O/c1-4-15-12(16)8-14-11-7-5-6-10(9(2)3)13(11)15/h5-7,9,14H,4,8H2,1-3H3
InChIKeyOOLGPZDUWQMFEE-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.59
Rot. Bonds2

About 1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one

1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one (PubChem CID 84623041) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one
PubChem CID84623041
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)CNc2cccc(C(C)C)c21
InChIInChI=1S/C13H18N2O/c1-4-15-12(16)8-14-11-7-5-6-10(9(2)3)13(11)15/h5-7,9,14H,4,8H2,1-3H3
InChIKeyOOLGPZDUWQMFEE-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one
CID 115095930
3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623218
8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one
CID 84624735
8-(hydroxymethyl)-1-methyl-3,4-dihydroquinoxalin-2-one
CID 115095925
8-fluoro-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84621075
5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one
CID 84635526
1-(2-propan-2-ylphenyl)piperazine-2,5-dione
CID 64955597
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 110686764
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-ethylimidazolidine
CID 129027447
3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione
CID 56819750
1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one
CID 84627207
1-but-3-ynyl-3,4-dihydroquinoxalin-2-one
CID 63643833

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one (CID 84623041) is 1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one is CCN1C(=O)CNc2cccc(C(C)C)c21.
What is the InChIKey of 1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The InChIKey is OOLGPZDUWQMFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-15-12(16)8-14-11-7-5-6-10(9(2)3)13(11)15/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of 1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one?
1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84623041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).