methyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate

C20H16N2O4 — CID 25189121

IUPACmethyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C(=O)OC)c3ccccn23)n2ccccc12
InChIInChI=1S/C20H16N2O4/c1-25-19(23)13-11-17(21-9-5-3-7-15(13)21)18-12-14(20(24)26-2)16-8-4-6-10-22(16)18/h3-12H,1-2H3
InChIKeySYOQMQNDOGBORQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.43
Rot. Bonds3

About methyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate

methyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate (PubChem CID 25189121) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is methyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate
PubChem CID25189121
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Namemethyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C(=O)OC)c3ccccn23)n2ccccc12
InChIInChI=1S/C20H16N2O4/c1-25-19(23)13-11-17(21-9-5-3-7-15(13)21)18-12-14(20(24)26-2)16-8-4-6-10-22(16)18/h3-12H,1-2H3
InChIKeySYOQMQNDOGBORQ-UHFFFAOYSA-N
XLogP3.43
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
4'-(Methoxycarbonyl)-[2,2'-bipyridine]-4-carboxylic acid
CID 25138011
Methyl 3-acetyl-1-indolizinecarboxylate
CID 821569
4,4'-Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 326419
Ethyl 2-(3-aminophenyl)indolizine-1-carboxylate
CID 1481502
1-Cyclohexyl-2-phenylindolizine-6-carboxylic acid
CID 16072892
Ethyl 5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 16090079
Dimethyl 3-benzoyl-1,2-indolizinedicarboxylate
CID 820872
Diethyl 2,6-dimethyl-2',4-bipyridine-3,5-dicarboxylate
CID 1070616
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2,2,2-trifluoroethyl)indole-3-carboxylate
CID 118436466
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2,2-difluoroethyl)indole-3-carboxylate
CID 118436477
(9-Methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate
CID 118436580

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate?
The IUPAC name of methyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate (CID 25189121) is methyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate.
What is the SMILES notation for methyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate?
The canonical SMILES for methyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate is COC(=O)c1cc(-c2cc(C(=O)OC)c3ccccn23)n2ccccc12.
What is the InChIKey of methyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate?
The InChIKey is SYOQMQNDOGBORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-25-19(23)13-11-17(21-9-5-3-7-15(13)21)18-12-14(20(24)26-2)16-8-4-6-10-22(16)18/h3-12H,1-2H3.
What are the key properties of methyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate?
methyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methoxycarbonylindolizin-3-yl)indolizine-1-carboxylate is sourced from PubChem (CID 25189121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).