methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate

C20H19NO6 — CID 1082798

IUPACmethyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc12
InChIInChI=1S/C20H19NO6/c1-24-16-9-12(10-17(25-2)18(16)26-3)19(22)21-11-14(20(23)27-4)13-7-5-6-8-15(13)21/h5-11H,1-4H3
InChIKeyUIGDCOFXFPAWNZ-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.14
Rot. Bonds5

About methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate

methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate (PubChem CID 1082798) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate
PubChem CID1082798
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Namemethyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc12
InChIInChI=1S/C20H19NO6/c1-24-16-9-12(10-17(25-2)18(16)26-3)19(22)21-11-14(20(23)27-4)13-7-5-6-8-15(13)21/h5-11H,1-4H3
InChIKeyUIGDCOFXFPAWNZ-UHFFFAOYSA-N
XLogP3.14
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate (CID 1082798) is methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate is COC(=O)c1cn(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc12.
What is the InChIKey of methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate?
The InChIKey is UIGDCOFXFPAWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-24-16-9-12(10-17(25-2)18(16)26-3)19(22)21-11-14(20(23)27-4)13-7-5-6-8-15(13)21/h5-11H,1-4H3.
What are the key properties of methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate?
methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate has a molecular weight of 369.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,4,5-trimethoxybenzoyl)indole-3-carboxylate is sourced from PubChem (CID 1082798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).