ethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate

C21H21NO4 — CID 118723963

IUPACethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2cc(C)cc(C)c12
InChIInChI=1S/C21H21NO4/c1-5-26-21(24)17-11-18(22-12-13(2)10-14(3)19(17)22)20(23)15-6-8-16(25-4)9-7-15/h6-12H,5H2,1-4H3
InChIKeyFGZOJYBKOBFFHP-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.97
Rot. Bonds5

About ethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate

ethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate (PubChem CID 118723963) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is ethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate
PubChem CID118723963
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Nameethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2cc(C)cc(C)c12
InChIInChI=1S/C21H21NO4/c1-5-26-21(24)17-11-18(22-12-13(2)10-14(3)19(17)22)20(23)15-6-8-16(25-4)9-7-15/h6-12H,5H2,1-4H3
InChIKeyFGZOJYBKOBFFHP-UHFFFAOYSA-N
XLogP3.97
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate (CID 118723963) is ethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2cc(C)cc(C)c12.
What is the InChIKey of ethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate?
The InChIKey is FGZOJYBKOBFFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-5-26-21(24)17-11-18(22-12-13(2)10-14(3)19(17)22)20(23)15-6-8-16(25-4)9-7-15/h6-12H,5H2,1-4H3.
What are the key properties of ethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate?
ethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxybenzoyl)-6,8-dimethylindolizine-1-carboxylate is sourced from PubChem (CID 118723963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).