6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione

C15H17N3O4 — CID 23474515

IUPAC6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCC1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC(C)O1
InChIInChI=1S/C15H17N3O4/c1-8-6-18(7-9(2)22-8)15(21)10-3-4-11-12(5-10)17-14(20)13(19)16-11/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyPVJTVPKQKQTETF-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.47
Rot. Bonds1

About 6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione

6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 23474515) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID23474515
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCC1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC(C)O1
InChIInChI=1S/C15H17N3O4/c1-8-6-18(7-9(2)22-8)15(21)10-3-4-11-12(5-10)17-14(20)13(19)16-11/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyPVJTVPKQKQTETF-UHFFFAOYSA-N
XLogP0.47
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(3S,4S)-4-cyclopropyl-1-(2,3-dioxo-1,4-dihydroquinoxaline-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 70732873
(3S,4S)-1-(2,3-dioxo-1,4-dihydroquinoxaline-6-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951103
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 95741069
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
6-[3-(2-methylphenyl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 70723396
6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 34467098
6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99974461

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione (CID 23474515) is 6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione is CC1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC(C)O1.
What is the InChIKey of 6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is PVJTVPKQKQTETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-8-6-18(7-9(2)22-8)15(21)10-3-4-11-12(5-10)17-14(20)13(19)16-11/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione?
6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 303.32 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 23474515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).