3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one

C20H20N4O2 — CID 58584670

IUPAC3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one
SMILESCOCCN(C)c1ccc2[nH]c(=O)c(-c3cc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C20H20N4O2/c1-24(9-10-26-2)14-7-8-16-17(12-14)22-19(20(25)23-16)18-11-13-5-3-4-6-15(13)21-18/h3-8,11-12,21H,9-10H2,1-2H3,(H,23,25)
InChIKeyFYSWTKWGGDKZPB-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.15
Rot. Bonds5

About 3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one

3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one (PubChem CID 58584670) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one
PubChem CID58584670
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one
SMILESCOCCN(C)c1ccc2[nH]c(=O)c(-c3cc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C20H20N4O2/c1-24(9-10-26-2)14-7-8-16-17(12-14)22-19(20(25)23-16)18-11-13-5-3-4-6-15(13)21-18/h3-8,11-12,21H,9-10H2,1-2H3,(H,23,25)
InChIKeyFYSWTKWGGDKZPB-UHFFFAOYSA-N
XLogP3.15
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one?
The IUPAC name of 3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one (CID 58584670) is 3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one?
The canonical SMILES for 3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one is COCCN(C)c1ccc2[nH]c(=O)c(-c3cc4ccccc4[nH]3)nc2c1.
What is the InChIKey of 3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one?
The InChIKey is FYSWTKWGGDKZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24(9-10-26-2)14-7-8-16-17(12-14)22-19(20(25)23-16)18-11-13-5-3-4-6-15(13)21-18/h3-8,11-12,21H,9-10H2,1-2H3,(H,23,25).
What are the key properties of 3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one?
3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one has a molecular weight of 348.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one is sourced from PubChem (CID 58584670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).