ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate

C22H20N2O4 — CID 102443384

IUPACethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2ccccn2c1-c1c(C(=O)OCC)cc2ccccn12
InChIInChI=1S/C22H20N2O4/c1-3-27-21(25)17-13-15-9-5-7-11-23(15)19(17)20-18(22(26)28-4-2)14-16-10-6-8-12-24(16)20/h5-14H,3-4H2,1-2H3
InChIKeyNYFHYNJAWLLSFF-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.21
Rot. Bonds5

About ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate

ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate (PubChem CID 102443384) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate
PubChem CID102443384
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Nameethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2ccccn2c1-c1c(C(=O)OCC)cc2ccccn12
InChIInChI=1S/C22H20N2O4/c1-3-27-21(25)17-13-15-9-5-7-11-23(15)19(17)20-18(22(26)28-4-2)14-16-10-6-8-12-24(16)20/h5-14H,3-4H2,1-2H3
InChIKeyNYFHYNJAWLLSFF-UHFFFAOYSA-N
XLogP4.21
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Tropisetron
CID 656665
(1-(2-((Methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate
CID 119376
Tropisetron hydrochloride
CID 656664
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 1H-indole-3-carboxylate
CID 5595
Dimethyl 3-phenylpyrrolo(2,1,5-cd)indolizine-1,2-dicarboxylate
CID 287811
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylic acid ester monohydrochloride
CID 9818540
Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
methyl 1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole-6-carboxylate
CID 11632670
[1-[2-(Methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-(tritritiomethyl)indole-3-carboxylate
CID 44559101
2-(Dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate
CID 56589666
(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate
CID 10852772
Methyl 3-acetyl-1-indolizinecarboxylate
CID 821569

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate?
The IUPAC name of ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate (CID 102443384) is ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate?
The canonical SMILES for ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate is CCOC(=O)c1cc2ccccn2c1-c1c(C(=O)OCC)cc2ccccn12.
What is the InChIKey of ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate?
The InChIKey is NYFHYNJAWLLSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-3-27-21(25)17-13-15-9-5-7-11-23(15)19(17)20-18(22(26)28-4-2)14-16-10-6-8-12-24(16)20/h5-14H,3-4H2,1-2H3.
What are the key properties of ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate?
ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethoxycarbonylindolizin-3-yl)indolizine-2-carboxylate is sourced from PubChem (CID 102443384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).