ethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate

C23H17ClN2O3 — CID 1278702

IUPACethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(-c3ccccn3)cccc12
InChIInChI=1S/C23H17ClN2O3/c1-2-29-23(28)17-14-21(22(27)15-9-11-16(24)12-10-15)26-19(17)7-5-8-20(26)18-6-3-4-13-25-18/h3-14H,2H2,1H3
InChIKeyRVGLHSLGNSOYFR-UHFFFAOYSA-N
MW404.85 g/mol
LogP5.06
Rot. Bonds5

About ethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate

ethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate (PubChem CID 1278702) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is ethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate
PubChem CID1278702
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC Nameethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(-c3ccccn3)cccc12
InChIInChI=1S/C23H17ClN2O3/c1-2-29-23(28)17-14-21(22(27)15-9-11-16(24)12-10-15)26-19(17)7-5-8-20(26)18-6-3-4-13-25-18/h3-14H,2H2,1H3
InChIKeyRVGLHSLGNSOYFR-UHFFFAOYSA-N
XLogP5.06
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.85
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate (CID 1278702) is ethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(-c3ccccn3)cccc12.
What is the InChIKey of ethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate?
The InChIKey is RVGLHSLGNSOYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c1-2-29-23(28)17-14-21(22(27)15-9-11-16(24)12-10-15)26-19(17)7-5-8-20(26)18-6-3-4-13-25-18/h3-14H,2H2,1H3.
What are the key properties of ethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate?
ethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate has a molecular weight of 404.85 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate is sourced from PubChem (CID 1278702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).