3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one

C11H14N2O2 — CID 84620706

IUPAC3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC1Nc2c(cccc2OC)NC1=O
InChIInChI=1S/C11H14N2O2/c1-3-7-11(14)13-8-5-4-6-9(15-2)10(8)12-7/h4-7,12H,3H2,1-2H3,(H,13,14)
InChIKeyNISKSCCEJUBPHE-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.84
Rot. Bonds2

About 3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one

3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 84620706) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID84620706
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC1Nc2c(cccc2OC)NC1=O
InChIInChI=1S/C11H14N2O2/c1-3-7-11(14)13-8-5-4-6-9(15-2)10(8)12-7/h4-7,12H,3H2,1-2H3,(H,13,14)
InChIKeyNISKSCCEJUBPHE-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 84635535
3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one
CID 82075718
3-ethyl-5,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 84621637
6-methoxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-2-one
CID 115099069
4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
CID 169499137
3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 82156858
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide
CID 110722270
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(2-methoxyphenyl)acetamide
CID 51836525
(3S)-3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367525
6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 84627180
3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902782
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide
CID 110722124

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one (CID 84620706) is 3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one is CCC1Nc2c(cccc2OC)NC1=O.
What is the InChIKey of 3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is NISKSCCEJUBPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-7-11(14)13-8-5-4-6-9(15-2)10(8)12-7/h4-7,12H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one?
3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 84620706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).