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

C22H23FN4O2S — CID 22332566

IUPAC2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCC1CN(c2nc3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C22H23FN4O2S/c1-14-11-27(12-15(2)29-14)21-22(26-19-6-4-3-5-18(19)25-21)30-13-20(28)24-17-9-7-16(23)8-10-17/h3-10,14-15H,11-13H2,1-2H3,(H,24,28)
InChIKeyVCCBRBVDEXVDIA-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.11
Rot. Bonds5

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

2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 22332566) has the molecular formula C22H23FN4O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID22332566
Molecular FormulaC22H23FN4O2S
Molecular Weight426.52 g/mol
Exact Mass426.15
IUPAC Name2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCC1CN(c2nc3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C22H23FN4O2S/c1-14-11-27(12-15(2)29-14)21-22(26-19-6-4-3-5-18(19)25-21)30-13-20(28)24-17-9-7-16(23)8-10-17/h3-10,14-15H,11-13H2,1-2H3,(H,24,28)
InChIKeyVCCBRBVDEXVDIA-UHFFFAOYSA-N
XLogP4.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.11
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-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide (CID 22332566) is 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide is CC1CN(c2nc3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)CC(C)O1.
What is the InChIKey of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is VCCBRBVDEXVDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2S/c1-14-11-27(12-15(2)29-14)21-22(26-19-6-4-3-5-18(19)25-21)30-13-20(28)24-17-9-7-16(23)8-10-17/h3-10,14-15H,11-13H2,1-2H3,(H,24,28).
What are the key properties of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 426.52 g/mol, XLogP of 4.11, 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 22332566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).