4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione

C17H18F3N3O4 — CID 154865951

IUPAC4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione
SMILESCC1CN(C(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)CC(CC(F)(F)F)O1
InChIInChI=1S/C17H18F3N3O4/c1-10-7-22(8-11(27-10)6-17(18,19)20)14(24)9-23-13-5-3-2-4-12(13)21-15(25)16(23)26/h2-5,10-11H,6-9H2,1H3,(H,21,25)
InChIKeyGQEYJXYMJGYBML-UHFFFAOYSA-N
MW385.34 g/mol
LogP1.26
Rot. Bonds3

About 4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione

4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione (PubChem CID 154865951) has the molecular formula C17H18F3N3O4 and a molecular weight of 385.34 g/mol. Its IUPAC name is 4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione
PubChem CID154865951
Molecular FormulaC17H18F3N3O4
Molecular Weight385.34 g/mol
Exact Mass385.12
IUPAC Name4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione
SMILESCC1CN(C(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)CC(CC(F)(F)F)O1
InChIInChI=1S/C17H18F3N3O4/c1-10-7-22(8-11(27-10)6-17(18,19)20)14(24)9-23-13-5-3-2-4-12(13)21-15(25)16(23)26/h2-5,10-11H,6-9H2,1H3,(H,21,25)
InChIKeyGQEYJXYMJGYBML-UHFFFAOYSA-N
XLogP1.26
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione with MolForge

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Related Compounds

4-[2-(azepan-1-yl)-2-oxoethyl]-1H-quinoxaline-2,3-dione
CID 113195604
5-methyl-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118829
4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633
3-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one
CID 70772986
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide
CID 113195630
ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 163261599
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43012589
3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 35815227
3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119413160
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113195549
[2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 102937724
(3S,4S)-4-methyl-1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120953481

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione?
The IUPAC name of 4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione (CID 154865951) is 4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione is CC1CN(C(=O)Cn2c(=O)c(=O)[nH]c3ccccc32)CC(CC(F)(F)F)O1.
What is the InChIKey of 4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione?
The InChIKey is GQEYJXYMJGYBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4/c1-10-7-22(8-11(27-10)6-17(18,19)20)14(24)9-23-13-5-3-2-4-12(13)21-15(25)16(23)26/h2-5,10-11H,6-9H2,1H3,(H,21,25).
What are the key properties of 4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione?
4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione has a molecular weight of 385.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 154865951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).