1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline

C11H15N3 — CID 67337200

IUPAC1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline
SMILESC1=CCC2NC3CCNCC3=NC2=C1
InChIInChI=1S/C11H15N3/c1-2-4-9-8(3-1)13-10-5-6-12-7-11(10)14-9/h1-2,4,8,10,12-13H,3,5-7H2
InChIKeyLLPUPSXPMHSERH-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.60
Rot. Bonds

About 1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline

1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline (PubChem CID 67337200) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline.

Molecular Properties

Compound Name1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline
PubChem CID67337200
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline
SMILESC1=CCC2NC3CCNCC3=NC2=C1
InChIInChI=1S/C11H15N3/c1-2-4-9-8(3-1)13-10-5-6-12-7-11(10)14-9/h1-2,4,8,10,12-13H,3,5-7H2
InChIKeyLLPUPSXPMHSERH-UHFFFAOYSA-N
XLogP0.60
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline?
The IUPAC name of 1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline (CID 67337200) is 1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline.
What is the SMILES notation for 1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline?
The canonical SMILES for 1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline is C1=CCC2NC3CCNCC3=NC2=C1.
What is the InChIKey of 1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline?
The InChIKey is LLPUPSXPMHSERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-4-9-8(3-1)13-10-5-6-12-7-11(10)14-9/h1-2,4,8,10,12-13H,3,5-7H2.
What are the key properties of 1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline?
1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline has a molecular weight of 189.26 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,5a,6-octahydropyrido[4,3-b]quinoxaline is sourced from PubChem (CID 67337200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).