1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione

C17H21N3O6S — CID 5309675

IUPAC1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)CCC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C17H21N3O6S/c1-18-13-4-3-12(11-14(13)19(2)17(23)16(18)22)27(24,25)10-5-15(21)20-6-8-26-9-7-20/h3-4,11H,5-10H2,1-2H3
InChIKeyVGIFQVICNZJMLN-UHFFFAOYSA-N
MW395.44 g/mol
LogP-0.74
Rot. Bonds4

About 1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione

1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione (PubChem CID 5309675) has the molecular formula C17H21N3O6S and a molecular weight of 395.44 g/mol. Its IUPAC name is 1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione.

Molecular Properties

Compound Name1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione
PubChem CID5309675
Molecular FormulaC17H21N3O6S
Molecular Weight395.44 g/mol
Exact Mass395.12
IUPAC Name1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)CCC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C17H21N3O6S/c1-18-13-4-3-12(11-14(13)19(2)17(23)16(18)22)27(24,25)10-5-15(21)20-6-8-26-9-7-20/h3-4,11H,5-10H2,1-2H3
InChIKeyVGIFQVICNZJMLN-UHFFFAOYSA-N
XLogP-0.74
TPSA107.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione?
The IUPAC name of 1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione (CID 5309675) is 1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione.
What is the SMILES notation for 1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione?
The canonical SMILES for 1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione is Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)CCC(=O)N3CCOCC3)ccc21.
What is the InChIKey of 1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione?
The InChIKey is VGIFQVICNZJMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6S/c1-18-13-4-3-12(11-14(13)19(2)17(23)16(18)22)27(24,25)10-5-15(21)20-6-8-26-9-7-20/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione?
1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione has a molecular weight of 395.44 g/mol, XLogP of -0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)sulfonylquinoxaline-2,3-dione is sourced from PubChem (CID 5309675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).