4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine

C21H22N6O2 — CID 71153268

IUPAC4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
SMILESCOc1cncc(-c2nnc3c(C)nc4ccc(CN5CCOCC5)cc4n23)c1
InChIInChI=1S/C21H22N6O2/c1-14-20-24-25-21(16-10-17(28-2)12-22-11-16)27(20)19-9-15(3-4-18(19)23-14)13-26-5-7-29-8-6-26/h3-4,9-12H,5-8,13H2,1-2H3
InChIKeyMUTVZBOSDNBOEV-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.49
Rot. Bonds4

About 4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine

4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine (PubChem CID 71153268) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
PubChem CID71153268
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
SMILESCOc1cncc(-c2nnc3c(C)nc4ccc(CN5CCOCC5)cc4n23)c1
InChIInChI=1S/C21H22N6O2/c1-14-20-24-25-21(16-10-17(28-2)12-22-11-16)27(20)19-9-15(3-4-18(19)23-14)13-26-5-7-29-8-6-26/h3-4,9-12H,5-8,13H2,1-2H3
InChIKeyMUTVZBOSDNBOEV-UHFFFAOYSA-N
XLogP2.49
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine (CID 71153268) is 4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine is COc1cncc(-c2nnc3c(C)nc4ccc(CN5CCOCC5)cc4n23)c1.
What is the InChIKey of 4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
The InChIKey is MUTVZBOSDNBOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14-20-24-25-21(16-10-17(28-2)12-22-11-16)27(20)19-9-15(3-4-18(19)23-14)13-26-5-7-29-8-6-26/h3-4,9-12H,5-8,13H2,1-2H3.
What are the key properties of 4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine has a molecular weight of 390.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-methoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine is sourced from PubChem (CID 71153268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).