3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate

C18H16N2O4 — CID 21234424

IUPAC3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)c2ccc(C(=O)OC)cn12
InChIInChI=1S/C18H16N2O4/c1-3-24-18(22)16-10-13(14-6-4-5-9-19-14)15-8-7-12(11-20(15)16)17(21)23-2/h4-11H,3H2,1-2H3
InChIKeyAHEHKVADPHCHBZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.96
Rot. Bonds4

About 3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate

3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate (PubChem CID 21234424) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate
PubChem CID21234424
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)c2ccc(C(=O)OC)cn12
InChIInChI=1S/C18H16N2O4/c1-3-24-18(22)16-10-13(14-6-4-5-9-19-14)15-8-7-12(11-20(15)16)17(21)23-2/h4-11H,3H2,1-2H3
InChIKeyAHEHKVADPHCHBZ-UHFFFAOYSA-N
XLogP2.96
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate?
The IUPAC name of 3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate (CID 21234424) is 3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate?
The canonical SMILES for 3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate is CCOC(=O)c1cc(-c2ccccn2)c2ccc(C(=O)OC)cn12.
What is the InChIKey of 3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate?
The InChIKey is AHEHKVADPHCHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-3-24-18(22)16-10-13(14-6-4-5-9-19-14)15-8-7-12(11-20(15)16)17(21)23-2/h4-11H,3H2,1-2H3.
What are the key properties of 3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate?
3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate is sourced from PubChem (CID 21234424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).