9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline

C14H20ClN3 — CID 84640120

IUPAC9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
SMILESCCN1CC2CNCCN2c2cc(Cl)cc(C)c21
InChIInChI=1S/C14H20ClN3/c1-3-17-9-12-8-16-4-5-18(12)13-7-11(15)6-10(2)14(13)17/h6-7,12,16H,3-5,8-9H2,1-2H3
InChIKeyRUGPIEHVLZCYFH-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.27
Rot. Bonds1

About 9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline

9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (PubChem CID 84640120) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.

Molecular Properties

Compound Name9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
PubChem CID84640120
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
SMILESCCN1CC2CNCCN2c2cc(Cl)cc(C)c21
InChIInChI=1S/C14H20ClN3/c1-3-17-9-12-8-16-4-5-18(12)13-7-11(15)6-10(2)14(13)17/h6-7,12,16H,3-5,8-9H2,1-2H3
InChIKeyRUGPIEHVLZCYFH-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

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The IUPAC name of 9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (CID 84640120) is 9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.
What is the SMILES notation for 9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The canonical SMILES for 9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is CCN1CC2CNCCN2c2cc(Cl)cc(C)c21.
What is the InChIKey of 9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The InChIKey is RUGPIEHVLZCYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-3-17-9-12-8-16-4-5-18(12)13-7-11(15)6-10(2)14(13)17/h6-7,12,16H,3-5,8-9H2,1-2H3.
What are the key properties of 9-chloro-6-ethyl-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
9-chloro-6-ethyl-7-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-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is sourced from PubChem (CID 84640120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).