5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one

C20H20N2O4 — CID 158252931

IUPAC5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one
SMILESCOCCC1OC(=O)Cc2cc3c(cc21)C(c1ccn(C)c(=O)c1)=NC3
InChIInChI=1S/C20H20N2O4/c1-22-5-3-12(8-18(22)23)20-16-10-15-13(7-14(16)11-21-20)9-19(24)26-17(15)4-6-25-2/h3,5,7-8,10,17H,4,6,9,11H2,1-2H3
InChIKeyTVXFMFPKWZVWCQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.91
Rot. Bonds4

About 5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one

5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one (PubChem CID 158252931) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one
PubChem CID158252931
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one
SMILESCOCCC1OC(=O)Cc2cc3c(cc21)C(c1ccn(C)c(=O)c1)=NC3
InChIInChI=1S/C20H20N2O4/c1-22-5-3-12(8-18(22)23)20-16-10-15-13(7-14(16)11-21-20)9-19(24)26-17(15)4-6-25-2/h3,5,7-8,10,17H,4,6,9,11H2,1-2H3
InChIKeyTVXFMFPKWZVWCQ-UHFFFAOYSA-N
XLogP1.91
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?
The IUPAC name of 5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one (CID 158252931) is 5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one.
What is the SMILES notation for 5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?
The canonical SMILES for 5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one is COCCC1OC(=O)Cc2cc3c(cc21)C(c1ccn(C)c(=O)c1)=NC3.
What is the InChIKey of 5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?
The InChIKey is TVXFMFPKWZVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-22-5-3-12(8-18(22)23)20-16-10-15-13(7-14(16)11-21-20)9-19(24)26-17(15)4-6-25-2/h3,5,7-8,10,17H,4,6,9,11H2,1-2H3.
What are the key properties of 5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one?
5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one has a molecular weight of 352.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one is sourced from PubChem (CID 158252931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).