5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline

C13H19N3 — CID 67337272

IUPAC5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline
SMILESCCN1C2CC=CC=C2N=C2CNCCC21
InChIInChI=1S/C13H19N3/c1-2-16-12-6-4-3-5-10(12)15-11-9-14-8-7-13(11)16/h3-5,12-14H,2,6-9H2,1H3
InChIKeyDSLWFBNSVVXXSF-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.34
Rot. Bonds1

About 5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline

5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline (PubChem CID 67337272) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline.

Molecular Properties

Compound Name5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline
PubChem CID67337272
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline
SMILESCCN1C2CC=CC=C2N=C2CNCCC21
InChIInChI=1S/C13H19N3/c1-2-16-12-6-4-3-5-10(12)15-11-9-14-8-7-13(11)16/h3-5,12-14H,2,6-9H2,1H3
InChIKeyDSLWFBNSVVXXSF-UHFFFAOYSA-N
XLogP1.34
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline?
The IUPAC name of 5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline (CID 67337272) is 5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline.
What is the SMILES notation for 5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline?
The canonical SMILES for 5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline is CCN1C2CC=CC=C2N=C2CNCCC21.
What is the InChIKey of 5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline?
The InChIKey is DSLWFBNSVVXXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-16-12-6-4-3-5-10(12)15-11-9-14-8-7-13(11)16/h3-5,12-14H,2,6-9H2,1H3.
What are the key properties of 5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline?
5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline has a molecular weight of 217.32 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3,4,4a,5a,6-hexahydro-1H-pyrido[4,3-b]quinoxaline is sourced from PubChem (CID 67337272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).