(6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine

C16H19F2N3O2 — CID 129484949

IUPAC(6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@@H]1CN(c2cnc3cc(F)c(F)cc3n2)CC(C)(C)O1
InChIInChI=1S/C16H19F2N3O2/c1-16(2)9-21(7-10(23-16)8-22-3)15-6-19-13-4-11(17)12(18)5-14(13)20-15/h4-6,10H,7-9H2,1-3H3/t10-/m0/s1
InChIKeyMLCADEYGQROODR-JTQLQIEISA-N
MW323.34 g/mol
LogP2.54
Rot. Bonds3

About (6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine

(6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine (PubChem CID 129484949) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is (6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
PubChem CID129484949
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name(6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@@H]1CN(c2cnc3cc(F)c(F)cc3n2)CC(C)(C)O1
InChIInChI=1S/C16H19F2N3O2/c1-16(2)9-21(7-10(23-16)8-22-3)15-6-19-13-4-11(17)12(18)5-14(13)20-15/h4-6,10H,7-9H2,1-3H3/t10-/m0/s1
InChIKeyMLCADEYGQROODR-JTQLQIEISA-N
XLogP2.54
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine?
The IUPAC name of (6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine (CID 129484949) is (6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for (6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine?
The canonical SMILES for (6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine is COC[C@@H]1CN(c2cnc3cc(F)c(F)cc3n2)CC(C)(C)O1.
What is the InChIKey of (6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine?
The InChIKey is MLCADEYGQROODR-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-16(2)9-21(7-10(23-16)8-22-3)15-6-19-13-4-11(17)12(18)5-14(13)20-15/h4-6,10H,7-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine?
(6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine has a molecular weight of 323.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(6,7-difluoroquinoxalin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 129484949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).