4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one

C18H26N3O3+ — CID 8899146

IUPAC4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
SMILESC[C@@H]1C[NH+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H](C)O1
InChIInChI=1S/C18H25N3O3/c1-12-9-20(10-13(2)24-12)11-16(22)21-15-8-6-5-7-14(15)19-17(23)18(21,3)4/h5-8,12-13H,9-11H2,1-4H3,(H,19,23)/p+1/t12-,13+
InChIKeyFAARHFWONFZYCA-BETUJISGSA-O
MW332.42 g/mol
LogP0.44
Rot. Bonds2

About 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one

4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one (PubChem CID 8899146) has the molecular formula C18H26N3O3+ and a molecular weight of 332.42 g/mol. Its IUPAC name is 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
PubChem CID8899146
Molecular FormulaC18H26N3O3+
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
SMILESC[C@@H]1C[NH+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H](C)O1
InChIInChI=1S/C18H25N3O3/c1-12-9-20(10-13(2)24-12)11-16(22)21-15-8-6-5-7-14(15)19-17(23)18(21,3)4/h5-8,12-13H,9-11H2,1-4H3,(H,19,23)/p+1/t12-,13+
InChIKeyFAARHFWONFZYCA-BETUJISGSA-O
XLogP0.44
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8903305
4-[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 8902382
3,3-dimethyl-4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8583106
(3aR,7aS)-2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7952230
methyl (3S)-2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
CID 8758347
3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8903306
4-[2-(4-hydroxyphenyl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 87010353
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] cyclohexanecarboxylate
CID 2474950
4-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 40881392
4-[2-(2,6-dichlorophenyl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7466995
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 8896899
4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 120776748

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The IUPAC name of 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one (CID 8899146) is 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one is C[C@@H]1C[NH+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H](C)O1.
What is the InChIKey of 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The InChIKey is FAARHFWONFZYCA-BETUJISGSA-O. The full InChI is InChI=1S/C18H25N3O3/c1-12-9-20(10-13(2)24-12)11-16(22)21-15-8-6-5-7-14(15)19-17(23)18(21,3)4/h5-8,12-13H,9-11H2,1-4H3,(H,19,23)/p+1/t12-,13+.
What are the key properties of 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one has a molecular weight of 332.42 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 8899146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).