2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide

C23H26N4O2S — CID 22332563

IUPAC2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CC(C)OC(C)C2)c1
InChIInChI=1S/C23H26N4O2S/c1-15-7-6-8-18(11-15)24-21(28)14-30-23-22(27-12-16(2)29-17(3)13-27)25-19-9-4-5-10-20(19)26-23/h4-11,16-17H,12-14H2,1-3H3,(H,24,28)
InChIKeyMSGTULUVTCRSTG-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.28
Rot. Bonds5

About 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide

2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 22332563) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID22332563
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CC(C)OC(C)C2)c1
InChIInChI=1S/C23H26N4O2S/c1-15-7-6-8-18(11-15)24-21(28)14-30-23-22(27-12-16(2)29-17(3)13-27)25-19-9-4-5-10-20(19)26-23/h4-11,16-17H,12-14H2,1-3H3,(H,24,28)
InChIKeyMSGTULUVTCRSTG-UHFFFAOYSA-N
XLogP4.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide (CID 22332563) is 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CC(C)OC(C)C2)c1.
What is the InChIKey of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is MSGTULUVTCRSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-15-7-6-8-18(11-15)24-21(28)14-30-23-22(27-12-16(2)29-17(3)13-27)25-19-9-4-5-10-20(19)26-23/h4-11,16-17H,12-14H2,1-3H3,(H,24,28).
What are the key properties of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide?
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 22332563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).