2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

C24H27N5O2S — CID 22332616

IUPAC2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N5O2S/c30-22(28-12-10-27(11-13-28)19-6-2-1-3-7-19)18-32-24-23(29-14-16-31-17-15-29)25-20-8-4-5-9-21(20)26-24/h1-9H,10-18H2
InChIKeyXYQLEAZNKQCIEQ-UHFFFAOYSA-N
MW449.58 g/mol
LogP2.91
Rot. Bonds5

About 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 22332616) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID22332616
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC Name2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N5O2S/c30-22(28-12-10-27(11-13-28)19-6-2-1-3-7-19)18-32-24-23(29-14-16-31-17-15-29)25-20-8-4-5-9-21(20)26-24/h1-9H,10-18H2
InChIKeyXYQLEAZNKQCIEQ-UHFFFAOYSA-N
XLogP2.91
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone 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 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (CID 22332616) is 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is XYQLEAZNKQCIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c30-22(28-12-10-27(11-13-28)19-6-2-1-3-7-19)18-32-24-23(29-14-16-31-17-15-29)25-20-8-4-5-9-21(20)26-24/h1-9H,10-18H2.
What are the key properties of 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 449.58 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 22332616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).