4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

C16H22N2O2 — CID 114431954

IUPAC4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCCOc1cccc2c1NC(=O)C1CC(CC)CCN21
InChIInChI=1S/C16H22N2O2/c1-3-11-8-9-18-12-6-5-7-14(20-4-2)15(12)17-16(19)13(18)10-11/h5-7,11,13H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyGWICVAYKUBDYNX-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.03
Rot. Bonds3

About 4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (PubChem CID 114431954) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
PubChem CID114431954
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCCOc1cccc2c1NC(=O)C1CC(CC)CCN21
InChIInChI=1S/C16H22N2O2/c1-3-11-8-9-18-12-6-5-7-14(20-4-2)15(12)17-16(19)13(18)10-11/h5-7,11,13H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyGWICVAYKUBDYNX-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one with MolForge

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Related Compounds

6-ethoxy-3-methyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 102783839
6-propan-2-yloxy-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 113393558
8-ethoxy-3-oxo-1,2,4,4a,5,7-hexahydro-[1,4]thiazino[4,3-a][1,5]benzodiazepin-6-one
CID 105357295
4-ethoxy-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
CID 113393246
6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
CID 114240010
6-ethoxy-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 105356162
1-(2-ethoxyphenyl)-2-methylpiperidin-4-one
CID 54975575
2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
CID 166167636
3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 159605896
(4aS,8aS)-4-(2-ethoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675917
2-(4-aminophenyl)-7-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 114430618
4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one
CID 61361632

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The IUPAC name of 4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (CID 114431954) is 4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The canonical SMILES for 4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is CCOc1cccc2c1NC(=O)C1CC(CC)CCN21.
What is the InChIKey of 4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The InChIKey is GWICVAYKUBDYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-11-8-9-18-12-6-5-7-14(20-4-2)15(12)17-16(19)13(18)10-11/h5-7,11,13H,3-4,8-10H2,1-2H3,(H,17,19).
What are the key properties of 4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one has a molecular weight of 274.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 114431954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).