[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone

C15H17N3O2 — CID 39952041

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone
SMILESC[C@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H](C)O1
InChIInChI=1S/C15H17N3O2/c1-10-8-18(9-11(2)20-10)15(19)14-7-16-12-5-3-4-6-13(12)17-14/h3-7,10-11H,8-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyWJQZADVTSYHESN-QWRGUYRKSA-N
MW271.32 g/mol
LogP1.88
Rot. Bonds1

About [(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone (PubChem CID 39952041) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone
PubChem CID39952041
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone
SMILESC[C@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H](C)O1
InChIInChI=1S/C15H17N3O2/c1-10-8-18(9-11(2)20-10)15(19)14-7-16-12-5-3-4-6-13(12)17-14/h3-7,10-11H,8-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyWJQZADVTSYHESN-QWRGUYRKSA-N
XLogP1.88
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride
CID 119576327
(3S,4S)-1-(quinoxaline-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;dihydrochloride
CID 120949116
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-2-yl)methanone;dihydrochloride
CID 119635006
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
[2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone
CID 146080654
(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone
CID 103727060
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219703
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219704
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 115746338

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone (CID 39952041) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone is C[C@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H](C)O1.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone?
The InChIKey is WJQZADVTSYHESN-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-8-18(9-11(2)20-10)15(19)14-7-16-12-5-3-4-6-13(12)17-14/h3-7,10-11H,8-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone has a molecular weight of 271.32 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 39952041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).