[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone

C21H21N3O2 — CID 100847694

IUPAC[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone
SMILESC[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C21H21N3O2/c1-14-13-26-20(16-8-4-3-5-9-16)15(2)24(14)21(25)19-12-22-17-10-6-7-11-18(17)23-19/h3-12,14-15,20H,13H2,1-2H3/t14-,15-,20-/m1/s1
InChIKeyWSCDYOZJOCWCBA-STXHMFSFSA-N
MW347.42 g/mol
LogP3.62
Rot. Bonds2

About [(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone

[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone (PubChem CID 100847694) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone
PubChem CID100847694
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone
SMILESC[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C21H21N3O2/c1-14-13-26-20(16-8-4-3-5-9-16)15(2)24(14)21(25)19-12-22-17-10-6-7-11-18(17)23-19/h3-12,14-15,20H,13H2,1-2H3/t14-,15-,20-/m1/s1
InChIKeyWSCDYOZJOCWCBA-STXHMFSFSA-N
XLogP3.62
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone (CID 100847694) is [(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone is C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cnc2ccccc2n1.
What is the InChIKey of [(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone?
The InChIKey is WSCDYOZJOCWCBA-STXHMFSFSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-13-26-20(16-8-4-3-5-9-16)15(2)24(14)21(25)19-12-22-17-10-6-7-11-18(17)23-19/h3-12,14-15,20H,13H2,1-2H3/t14-,15-,20-/m1/s1.
What are the key properties of [(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone?
[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone has a molecular weight of 347.42 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 100847694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).