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

C21H20ClN5O — CID 71153436

IUPAC4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
SMILESCc1nc2ccc(CN3CCOCC3)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
InChIKeyLZRGPVBUCASWQB-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.74
Rot. Bonds3

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

4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine (PubChem CID 71153436) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
PubChem CID71153436
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
SMILESCc1nc2ccc(CN3CCOCC3)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3
InChIKeyLZRGPVBUCASWQB-UHFFFAOYSA-N
XLogP3.74
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine (CID 71153436) is 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine is Cc1nc2ccc(CN3CCOCC3)cc2n2c(-c3ccccc3Cl)nnc12.
What is the InChIKey of 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
The InChIKey is LZRGPVBUCASWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(16-4-2-3-5-17(16)22)27(20)19-12-15(6-7-18(19)23-14)13-26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine?
4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine has a molecular weight of 393.88 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine is sourced from PubChem (CID 71153436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).