methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate

C23H19NO5 — CID 24818793

IUPACmethyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(-c3ccc(OC)nc3)cc12
InChIInChI=1S/C23H19NO5/c1-26-17-8-4-14(5-9-17)22-21(23(25)28-3)18-12-15(6-10-19(18)29-22)16-7-11-20(27-2)24-13-16/h4-13H,1-3H3
InChIKeyMAIZWLNCBUELLA-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.97
Rot. Bonds5

About methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate

methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate (PubChem CID 24818793) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate
PubChem CID24818793
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Namemethyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(-c3ccc(OC)nc3)cc12
InChIInChI=1S/C23H19NO5/c1-26-17-8-4-14(5-9-17)22-21(23(25)28-3)18-12-15(6-10-19(18)29-22)16-7-11-20(27-2)24-13-16/h4-13H,1-3H3
InChIKeyMAIZWLNCBUELLA-UHFFFAOYSA-N
XLogP4.97
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate 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 methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate (CID 24818793) is methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate is COC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(-c3ccc(OC)nc3)cc12.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate?
The InChIKey is MAIZWLNCBUELLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-26-17-8-4-14(5-9-17)22-21(23(25)28-3)18-12-15(6-10-19(18)29-22)16-7-11-20(27-2)24-13-16/h4-13H,1-3H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate?
methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate is sourced from PubChem (CID 24818793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).