methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate

C19H20N2O7 — CID 3242150

IUPACmethyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C19H20N2O7/c1-24-14-6-5-11(17(25-2)18(14)26-3)20-16(22)10-21-12-7-8-28-15(12)9-13(21)19(23)27-4/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyGHYGIBIAAVIZIM-UHFFFAOYSA-N
MW388.38 g/mol
LogP2.69
Rot. Bonds7

About methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate

methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 3242150) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID3242150
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Namemethyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C19H20N2O7/c1-24-14-6-5-11(17(25-2)18(14)26-3)20-16(22)10-21-12-7-8-28-15(12)9-13(21)19(23)27-4/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyGHYGIBIAAVIZIM-UHFFFAOYSA-N
XLogP2.69
TPSA101.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 3242150) is methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC.
What is the InChIKey of methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is GHYGIBIAAVIZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-24-14-6-5-11(17(25-2)18(14)26-3)20-16(22)10-21-12-7-8-28-15(12)9-13(21)19(23)27-4/h5-9H,10H2,1-4H3,(H,20,22).
What are the key properties of methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 388.38 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-oxo-2-(2,3,4-trimethoxyanilino)ethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3242150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).