6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one

C23H24N4O4 — CID 53065145

IUPAC6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one
SMILESCCOc1ccc(Cc2nc(-c3ccc4c(c3)nc(C)c(=O)n4C)no2)cc1OCC
InChIInChI=1S/C23H24N4O4/c1-5-29-19-10-7-15(11-20(19)30-6-2)12-21-25-22(26-31-21)16-8-9-18-17(13-16)24-14(3)23(28)27(18)4/h7-11,13H,5-6,12H2,1-4H3
InChIKeyMSOSAMYKWCVIDU-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.68
Rot. Bonds7

About 6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one

6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one (PubChem CID 53065145) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one.

Molecular Properties

Compound Name6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one
PubChem CID53065145
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one
SMILESCCOc1ccc(Cc2nc(-c3ccc4c(c3)nc(C)c(=O)n4C)no2)cc1OCC
InChIInChI=1S/C23H24N4O4/c1-5-29-19-10-7-15(11-20(19)30-6-2)12-21-25-22(26-31-21)16-8-9-18-17(13-16)24-14(3)23(28)27(18)4/h7-11,13H,5-6,12H2,1-4H3
InChIKeyMSOSAMYKWCVIDU-UHFFFAOYSA-N
XLogP3.68
TPSA92.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one with MolForge

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Related Compounds

5-[(3,4-diethoxyphenyl)methyl]-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030841
6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one
CID 53065215
1,3-dimethyl-6-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 95067702
1,3-dimethyl-6-[5-[(1S)-1-phenoxyethyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 92746553
6-[5-[(E)-2-(2-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one
CID 53065152
1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065136
1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065353
3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 30029294
6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one
CID 50806792
6-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-propyl-1H-benzimidazol-2-one
CID 53065834
5-[(4-fluorophenyl)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030926
3-(3,5-dimethylphenyl)-1-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 45499997

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one?
The IUPAC name of 6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one (CID 53065145) is 6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one.
What is the SMILES notation for 6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one?
The canonical SMILES for 6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one is CCOc1ccc(Cc2nc(-c3ccc4c(c3)nc(C)c(=O)n4C)no2)cc1OCC.
What is the InChIKey of 6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one?
The InChIKey is MSOSAMYKWCVIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-5-29-19-10-7-15(11-20(19)30-6-2)12-21-25-22(26-31-21)16-8-9-18-17(13-16)24-14(3)23(28)27(18)4/h7-11,13H,5-6,12H2,1-4H3.
What are the key properties of 6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one?
6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one has a molecular weight of 420.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(3,4-diethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one is sourced from PubChem (CID 53065145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).