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

C24H28N6O2 — CID 71153408

IUPAC4-[[1-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
SMILESCCCCOc1cncc(-c2nnc3c(C)nc4ccc(CN5CCOCC5)cc4n23)c1
InChIInChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
InChIKeyJJQZDOKXARNTKH-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.66
Rot. Bonds7

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

4-[[1-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine (PubChem CID 71153408) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-[[1-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
PubChem CID71153408
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name4-[[1-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
SMILESCCCCOc1cncc(-c2nnc3c(C)nc4ccc(CN5CCOCC5)cc4n23)c1
InChIInChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3
InChIKeyJJQZDOKXARNTKH-UHFFFAOYSA-N
XLogP3.66
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

4-[[1-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholin-4-ium
CID 117071796
4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
CID 71153436
1-[1-(5-butoxy-2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]ethanamine
CID 90030050
ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine
CID 145100782
1-[(4-butoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112798075
7-bromo-6-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 123340752
4-[2-[3-butyl-2-[3-(4-tert-butylphenoxy)phenyl]benzimidazol-5-yl]oxyethyl]morpholine
CID 59699191
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[4-[[4-(5-ethoxy-3-pyridinyl)-3-methylphenyl]methyl]piperazin-1-yl]-N-methylsulfonylbenzamide
CID 169271564
N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
CID 52751437
N-[(4-butoxyphenyl)methyl]morpholin-4-amine
CID 83012107

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine (CID 71153408) is 4-[[1-(5-butoxy-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-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine is CCCCOc1cncc(-c2nnc3c(C)nc4ccc(CN5CCOCC5)cc4n23)c1.
What is the InChIKey of 4-[[1-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
The InChIKey is JJQZDOKXARNTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-3-4-9-32-20-13-19(14-25-15-20)24-28-27-23-17(2)26-21-6-5-18(12-22(21)30(23)24)16-29-7-10-31-11-8-29/h5-6,12-15H,3-4,7-11,16H2,1-2H3.
What are the key properties of 4-[[1-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
4-[[1-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine has a molecular weight of 432.53 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-butoxy-3-pyridinyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine is sourced from PubChem (CID 71153408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).