2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one

C20H20N2O6 — CID 24773797

IUPAC2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(N1Cc3ccc(OC)c(OC)c3C1=O)C2
InChIInChI=1S/C20H20N2O6/c1-25-13-7-5-11-9-21(19(23)15(11)17(13)27-3)22-10-12-6-8-14(26-2)18(28-4)16(12)20(22)24/h5-8H,9-10H2,1-4H3
InChIKeyWWBWDFWGLWLLND-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.25
Rot. Bonds5

About 2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one

2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one (PubChem CID 24773797) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one
PubChem CID24773797
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(N1Cc3ccc(OC)c(OC)c3C1=O)C2
InChIInChI=1S/C20H20N2O6/c1-25-13-7-5-11-9-21(19(23)15(11)17(13)27-3)22-10-12-6-8-14(26-2)18(28-4)16(12)20(22)24/h5-8H,9-10H2,1-4H3
InChIKeyWWBWDFWGLWLLND-UHFFFAOYSA-N
XLogP2.25
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one?
The IUPAC name of 2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one (CID 24773797) is 2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one?
The canonical SMILES for 2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one is COc1ccc2c(c1OC)C(=O)N(N1Cc3ccc(OC)c(OC)c3C1=O)C2.
What is the InChIKey of 2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one?
The InChIKey is WWBWDFWGLWLLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-25-13-7-5-11-9-21(19(23)15(11)17(13)27-3)22-10-12-6-8-14(26-2)18(28-4)16(12)20(22)24/h5-8H,9-10H2,1-4H3.
What are the key properties of 2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one?
2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one has a molecular weight of 384.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one is sourced from PubChem (CID 24773797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).