1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

C23H23NO6 — CID 6496414

IUPAC1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1ccc(C2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)OC3)c(OC)c1OC
InChIInChI=1S/C23H23NO6/c1-13-6-5-7-14(10-13)24-17-12-30-23(26)20(17)16(11-19(24)25)15-8-9-18(27-2)22(29-4)21(15)28-3/h5-10,16H,11-12H2,1-4H3
InChIKeyUJJIXCGAQZHDKX-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.35
Rot. Bonds5

About 1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 6496414) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID6496414
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1ccc(C2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)OC3)c(OC)c1OC
InChIInChI=1S/C23H23NO6/c1-13-6-5-7-14(10-13)24-17-12-30-23(26)20(17)16(11-19(24)25)15-8-9-18(27-2)22(29-4)21(15)28-3/h5-10,16H,11-12H2,1-4H3
InChIKeyUJJIXCGAQZHDKX-UHFFFAOYSA-N
XLogP3.35
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione 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 1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 6496414) is 1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is COc1ccc(C2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)OC3)c(OC)c1OC.
What is the InChIKey of 1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is UJJIXCGAQZHDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-13-6-5-7-14(10-13)24-17-12-30-23(26)20(17)16(11-19(24)25)15-8-9-18(27-2)22(29-4)21(15)28-3/h5-10,16H,11-12H2,1-4H3.
What are the key properties of 1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 409.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 6496414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).