2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone

C20H26N4O3S — CID 22332579

IUPAC2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCC1CN(c2nc3ccccc3nc2SCC(=O)N2CCOCC2)CC(C)O1
InChIInChI=1S/C20H26N4O3S/c1-14-11-24(12-15(2)27-14)19-20(22-17-6-4-3-5-16(17)21-19)28-13-18(25)23-7-9-26-10-8-23/h3-6,14-15H,7-13H2,1-2H3
InChIKeyXHGHTRYTAGNSTC-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.19
Rot. Bonds4

About 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone

2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 22332579) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID22332579
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCC1CN(c2nc3ccccc3nc2SCC(=O)N2CCOCC2)CC(C)O1
InChIInChI=1S/C20H26N4O3S/c1-14-11-24(12-15(2)27-14)19-20(22-17-6-4-3-5-16(17)21-19)28-13-18(25)23-7-9-26-10-8-23/h3-6,14-15H,7-13H2,1-2H3
InChIKeyXHGHTRYTAGNSTC-UHFFFAOYSA-N
XLogP2.19
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone with MolForge

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Related Compounds

4-[3-(Benzenesulfonyl)quinoxalin-2-yl]morpholine
CID 70691801
2-({2-[4-(4-Methylpyridin-2-yl)piperazin-1-yl]-2-oxoethyl}thio)-3-piperidin-1-ylquinoxaline
CID 3244198
N-(4-Butylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 15991436
N-[4-(acetylamino)phenyl]-2-{[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]thio}acetamide
CID 15991457
N~1~-(2-ethyl-6-methylphenyl)-2-[(3-morpholino-2-quinoxalinyl)sulfanyl]acetamide
CID 15991458
2-{[3-(2,6-Dimethylmorpholin-4-YL)quinoxalin-2-YL]sulfanyl}-N-(3-methylphenyl)acetamide
CID 22332563
2-{[3-(2,6-Dimethylmorpholin-4-YL)quinoxalin-2-YL]sulfanyl}-N-(4-fluorophenyl)acetamide
CID 22332566
N-(4-Fluorophenyl)-2-{[3-(piperidin-1-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332587
N-(2-Ethylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332613
N-(3,5-Dimethylphenyl)-2-{[3-(morpholin-4-YL)quinoxalin-2-YL]sulfanyl}acetamide
CID 22332614
N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332629
2-{[3-(2,6-Dimethylmorpholin-4-YL)quinoxalin-2-YL]sulfanyl}-1-[4-(2,3-dimethylphenyl)piperazin-1-YL]ethan-1-one
CID 22332647

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone (CID 22332579) is 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone is CC1CN(c2nc3ccccc3nc2SCC(=O)N2CCOCC2)CC(C)O1.
What is the InChIKey of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is XHGHTRYTAGNSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14-11-24(12-15(2)27-14)19-20(22-17-6-4-3-5-16(17)21-19)28-13-18(25)23-7-9-26-10-8-23/h3-6,14-15H,7-13H2,1-2H3.
What are the key properties of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone?
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 402.52 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 22332579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).