10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one

C13H16ClN3O — CID 84640093

IUPAC10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
SMILESCCN1C(=O)C2CNCCN2c2c(Cl)cccc21
InChIInChI=1S/C13H16ClN3O/c1-2-16-10-5-3-4-9(14)12(10)17-7-6-15-8-11(17)13(16)18/h3-5,11,15H,2,6-8H2,1H3
InChIKeySNFWRYFDDCLYDQ-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.48
Rot. Bonds1

About 10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one

10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (PubChem CID 84640093) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one.

Molecular Properties

Compound Name10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
PubChem CID84640093
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
SMILESCCN1C(=O)C2CNCCN2c2c(Cl)cccc21
InChIInChI=1S/C13H16ClN3O/c1-2-16-10-5-3-4-9(14)12(10)17-7-6-15-8-11(17)13(16)18/h3-5,11,15H,2,6-8H2,1H3
InChIKeySNFWRYFDDCLYDQ-UHFFFAOYSA-N
XLogP1.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one with MolForge

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Related Compounds

10-ethyl-6-methyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84632006
6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84637887
9-bromo-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84645293
2-(2-chlorophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
CID 79965715
(2R)-1-(2,6-dichlorophenyl)-2-methylpiperazine
CID 11528873
(10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 11207650
2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
CID 78524206
1-(3-chloro-2-methylphenyl)-2-ethylpiperazine
CID 64936902
7-chloro-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84640114
10-chloro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
CID 46230096
(2S)-1-(2-chloro-3-fluorophenyl)-2-methylpiperazine
CID 11514137
8-chloro-2,3,4,4a,5,7-hexahydro-1H-pyrazino[1,2-a][1,5]benzodiazepin-6-one
CID 53240726

Frequently Asked Questions

What is the IUPAC name of 10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
The IUPAC name of 10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (CID 84640093) is 10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one.
What is the SMILES notation for 10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
The canonical SMILES for 10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one is CCN1C(=O)C2CNCCN2c2c(Cl)cccc21.
What is the InChIKey of 10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
The InChIKey is SNFWRYFDDCLYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-2-16-10-5-3-4-9(14)12(10)17-7-6-15-8-11(17)13(16)18/h3-5,11,15H,2,6-8H2,1H3.
What are the key properties of 10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one has a molecular weight of 265.74 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one is sourced from PubChem (CID 84640093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).