6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione

C20H21N3O4S — CID 5209835

IUPAC6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione
SMILESCCn1c(=O)c(=O)n(CC)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21
InChIInChI=1S/C20H21N3O4S/c1-3-21-17-10-9-15(13-18(17)22(4-2)20(25)19(21)24)28(26,27)23-12-11-14-7-5-6-8-16(14)23/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyIQAXLZAPEGVRKW-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.95
Rot. Bonds4

About 6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione

6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione (PubChem CID 5209835) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione
PubChem CID5209835
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione
SMILESCCn1c(=O)c(=O)n(CC)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21
InChIInChI=1S/C20H21N3O4S/c1-3-21-17-10-9-15(13-18(17)22(4-2)20(25)19(21)24)28(26,27)23-12-11-14-7-5-6-8-16(14)23/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyIQAXLZAPEGVRKW-UHFFFAOYSA-N
XLogP1.95
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione?
The IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione (CID 5209835) is 6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione.
What is the SMILES notation for 6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione?
The canonical SMILES for 6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione is CCn1c(=O)c(=O)n(CC)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21.
What is the InChIKey of 6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione?
The InChIKey is IQAXLZAPEGVRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-3-21-17-10-9-15(13-18(17)22(4-2)20(25)19(21)24)28(26,27)23-12-11-14-7-5-6-8-16(14)23/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of 6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione?
6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione has a molecular weight of 399.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-ylsulfonyl)-1,4-diethylquinoxaline-2,3-dione is sourced from PubChem (CID 5209835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).