9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline

C14H20ClN3 — CID 84640117

IUPAC9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
SMILESCCN1CC2CNCCN2c2c1ccc(Cl)c2C
InChIInChI=1S/C14H20ClN3/c1-3-17-9-11-8-16-6-7-18(11)14-10(2)12(15)4-5-13(14)17/h4-5,11,16H,3,6-9H2,1-2H3
InChIKeyWDZHHJAUXRUSNN-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.27
Rot. Bonds1

About 9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline

9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (PubChem CID 84640117) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.

Molecular Properties

Compound Name9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
PubChem CID84640117
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
SMILESCCN1CC2CNCCN2c2c1ccc(Cl)c2C
InChIInChI=1S/C14H20ClN3/c1-3-17-9-11-8-16-6-7-18(11)14-10(2)12(15)4-5-13(14)17/h4-5,11,16H,3,6-9H2,1-2H3
InChIKeyWDZHHJAUXRUSNN-UHFFFAOYSA-N
XLogP2.27
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline with MolForge

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Related Compounds

6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84626679
6-ethyl-8,10-dimethyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84632073
9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84640120
1-(3-chloro-2-methylphenyl)-2-ethylpiperazine
CID 64936902
10-ethyl-6-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84626705
2-[(4-ethylphenyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092227
7-chloro-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84640114
1-(2-chloro-4-methylphenyl)-2-ethylpiperazine
CID 64931290
2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 54775508
(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine
CID 96808511
9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84637933
2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 106729433

Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The IUPAC name of 9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (CID 84640117) is 9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.
What is the SMILES notation for 9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The canonical SMILES for 9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is CCN1CC2CNCCN2c2c1ccc(Cl)c2C.
What is the InChIKey of 9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The InChIKey is WDZHHJAUXRUSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-3-17-9-11-8-16-6-7-18(11)14-10(2)12(15)4-5-13(14)17/h4-5,11,16H,3,6-9H2,1-2H3.
What are the key properties of 9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline has a molecular weight of 265.79 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-ethyl-10-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is sourced from PubChem (CID 84640117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).