ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate

C22H23NO6 — CID 118723952

IUPACethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2ccc(C)cc12
InChIInChI=1S/C22H23NO6/c1-6-29-22(25)15-12-17(23-8-7-13(2)9-16(15)23)20(24)14-10-18(26-3)21(28-5)19(11-14)27-4/h7-12H,6H2,1-5H3
InChIKeyHKUKFUZUBLJXEO-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.68
Rot. Bonds7

About ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate

ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate (PubChem CID 118723952) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate
PubChem CID118723952
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Nameethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2ccc(C)cc12
InChIInChI=1S/C22H23NO6/c1-6-29-22(25)15-12-17(23-8-7-13(2)9-16(15)23)20(24)14-10-18(26-3)21(28-5)19(11-14)27-4/h7-12H,6H2,1-5H3
InChIKeyHKUKFUZUBLJXEO-UHFFFAOYSA-N
XLogP3.68
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate (CID 118723952) is ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2ccc(C)cc12.
What is the InChIKey of ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate?
The InChIKey is HKUKFUZUBLJXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-6-29-22(25)15-12-17(23-8-7-13(2)9-16(15)23)20(24)14-10-18(26-3)21(28-5)19(11-14)27-4/h7-12H,6H2,1-5H3.
What are the key properties of ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate?
ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate is sourced from PubChem (CID 118723952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).