3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine

C14H18N4O — CID 102987519

IUPAC3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine
SMILESC[C@@H]1CN(c2nc3ccccc3nc2N)C[C@H](C)O1
InChIInChI=1S/C14H18N4O/c1-9-7-18(8-10(2)19-9)14-13(15)16-11-5-3-4-6-12(11)17-14/h3-6,9-10H,7-8H2,1-2H3,(H2,15,16)/t9-,10+
InChIKeyZTRVOXWTTSIZOI-AOOOYVTPSA-N
MW258.32 g/mol
LogP1.83
Rot. Bonds1

About 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine (PubChem CID 102987519) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine
PubChem CID102987519
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine
SMILESC[C@@H]1CN(c2nc3ccccc3nc2N)C[C@H](C)O1
InChIInChI=1S/C14H18N4O/c1-9-7-18(8-10(2)19-9)14-13(15)16-11-5-3-4-6-12(11)17-14/h3-6,9-10H,7-8H2,1-2H3,(H2,15,16)/t9-,10+
InChIKeyZTRVOXWTTSIZOI-AOOOYVTPSA-N
XLogP1.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine (CID 102987519) is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine is C[C@@H]1CN(c2nc3ccccc3nc2N)C[C@H](C)O1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine?
The InChIKey is ZTRVOXWTTSIZOI-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-7-18(8-10(2)19-9)14-13(15)16-11-5-3-4-6-12(11)17-14/h3-6,9-10H,7-8H2,1-2H3,(H2,15,16)/t9-,10+.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine?
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine is sourced from PubChem (CID 102987519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).