ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate

C23H25NO6 — CID 118723955

IUPACethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2cc(C)cc(C)c12
InChIInChI=1S/C23H25NO6/c1-7-30-23(26)16-11-17(24-12-13(2)8-14(3)20(16)24)21(25)15-9-18(27-4)22(29-6)19(10-15)28-5/h8-12H,7H2,1-6H3
InChIKeyGQLCJEJXOMUZAN-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.99
Rot. Bonds7

About ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate

ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate (PubChem CID 118723955) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate
PubChem CID118723955
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Nameethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2cc(C)cc(C)c12
InChIInChI=1S/C23H25NO6/c1-7-30-23(26)16-11-17(24-12-13(2)8-14(3)20(16)24)21(25)15-9-18(27-4)22(29-6)19(10-15)28-5/h8-12H,7H2,1-6H3
InChIKeyGQLCJEJXOMUZAN-UHFFFAOYSA-N
XLogP3.99
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate (CID 118723955) is ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2cc(C)cc(C)c12.
What is the InChIKey of ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate?
The InChIKey is GQLCJEJXOMUZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c1-7-30-23(26)16-11-17(24-12-13(2)8-14(3)20(16)24)21(25)15-9-18(27-4)22(29-6)19(10-15)28-5/h8-12H,7H2,1-6H3.
What are the key properties of ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate?
ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate has a molecular weight of 411.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate is sourced from PubChem (CID 118723955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).