N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide

C24H32N6O3S — CID 24647597

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide (PubChem CID 24647597) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
• PubChem CID: 24647597
• Molecular Formula: C24H32N6O3S
• Molecular Weight: 484.63 g/mol
• Exact Mass: 484.23
• IUPAC Name: N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
• SMILES: C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(C)(C)N3CC(C)OC(C)C3)nnc12
• InChI: InChI=1S/C24H32N6O3S/c1-6-11-29-21(32)18-9-7-8-10-19(18)30-22(29)26-27-23(30)34-14-20(31)25-15-24(4,5)28-12-16(2)33-17(3)13-28/h6-10,16-17H,1,11-15H2,2-5H3,(H,25,31)
• InChIKey: CCPSQHCEKUZYCR-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 93.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.63
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?

The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide (CID 24647597) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?

The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide is C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(C)(C)N3CC(C)OC(C)C3)nnc12.

What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?

The InChIKey is CCPSQHCEKUZYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-6-11-29-21(32)18-9-7-8-10-19(18)30-22(29)26-27-23(30)34-14-20(31)25-15-24(4,5)28-12-16(2)33-17(3)13-28/h6-10,16-17H,1,11-15H2,2-5H3,(H,25,31).

What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide has a molecular weight of 484.63 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide is sourced from PubChem (CID 24647597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).