methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate

C20H21NO7 — CID 118737777

IUPACmethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1oc2c(OC)cccc2c1Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H21NO7/c1-23-13-8-6-7-12-16(19(20(22)27-5)28-17(12)13)21-11-9-14(24-2)18(26-4)15(10-11)25-3/h6-10,21H,1-5H3
InChIKeyVOYAGLZZVIVSON-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.00
Rot. Bonds7

About methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate

methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate (PubChem CID 118737777) has the molecular formula C20H21NO7 and a molecular weight of 387.39 g/mol. Its IUPAC name is methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate
PubChem CID118737777
Molecular FormulaC20H21NO7
Molecular Weight387.39 g/mol
Exact Mass387.13
IUPAC Namemethyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1oc2c(OC)cccc2c1Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H21NO7/c1-23-13-8-6-7-12-16(19(20(22)27-5)28-17(12)13)21-11-9-14(24-2)18(26-4)15(10-11)25-3/h6-10,21H,1-5H3
InChIKeyVOYAGLZZVIVSON-UHFFFAOYSA-N
XLogP4.00
TPSA88.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate (CID 118737777) is methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate is COC(=O)c1oc2c(OC)cccc2c1Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate?
The InChIKey is VOYAGLZZVIVSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO7/c1-23-13-8-6-7-12-16(19(20(22)27-5)28-17(12)13)21-11-9-14(24-2)18(26-4)15(10-11)25-3/h6-10,21H,1-5H3.
What are the key properties of methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate?
methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate has a molecular weight of 387.39 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-3-(3,4,5-trimethoxyanilino)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 118737777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).