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

C23H26N6O2 — CID 71153417

IUPAC4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
SMILESCCCOc1cncc(-c2nnc3c(C)nc4ccc(CN5CCOCC5)cc4n23)c1
InChIInChI=1S/C23H26N6O2/c1-3-8-31-19-12-18(13-24-14-19)23-27-26-22-16(2)25-20-5-4-17(11-21(20)29(22)23)15-28-6-9-30-10-7-28/h4-5,11-14H,3,6-10,15H2,1-2H3
InChIKeyRXQBGBZOHKWYBQ-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.27
Rot. Bonds6

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

4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine (PubChem CID 71153417) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
PubChem CID71153417
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
SMILESCCCOc1cncc(-c2nnc3c(C)nc4ccc(CN5CCOCC5)cc4n23)c1
InChIInChI=1S/C23H26N6O2/c1-3-8-31-19-12-18(13-24-14-19)23-27-26-22-16(2)25-20-5-4-17(11-21(20)29(22)23)15-28-6-9-30-10-7-28/h4-5,11-14H,3,6-10,15H2,1-2H3
InChIKeyRXQBGBZOHKWYBQ-UHFFFAOYSA-N
XLogP3.27
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine with MolForge

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Related Compounds

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CID 118288257
CID 59321315
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CID 138560421
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CID 118278137
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CID 118278218
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CID 118278242
CID 118278242
CID 118288255
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Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine (CID 71153417) is 4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine is CCCOc1cncc(-c2nnc3c(C)nc4ccc(CN5CCOCC5)cc4n23)c1.
What is the InChIKey of 4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
The InChIKey is RXQBGBZOHKWYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-3-8-31-19-12-18(13-24-14-19)23-27-26-22-16(2)25-20-5-4-17(11-21(20)29(22)23)15-28-6-9-30-10-7-28/h4-5,11-14H,3,6-10,15H2,1-2H3.
What are the key properties of 4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine has a molecular weight of 418.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-1-(5-propoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine is sourced from PubChem (CID 71153417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).