ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate

C36H28N2O6 — CID 10886398

IUPACethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(-c3ccn4c(C(=O)c5ccccc5)cc(C(=O)OCC)c4c3)cc12
InChIInChI=1S/C36H28N2O6/c1-3-43-35(41)27-21-31(33(39)23-11-7-5-8-12-23)37-17-15-25(19-29(27)37)26-16-18-38-30(20-26)28(36(42)44-4-2)22-32(38)34(40)24-13-9-6-10-14-24/h5-22H,3-4H2,1-2H3
InChIKeyBXHLQHDCHHALOW-UHFFFAOYSA-N
MW584.63 g/mol
LogP6.67
Rot. Bonds9

About ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate

ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate (PubChem CID 10886398) has the molecular formula C36H28N2O6 and a molecular weight of 584.63 g/mol. Its IUPAC name is ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate
PubChem CID10886398
Molecular FormulaC36H28N2O6
Molecular Weight584.63 g/mol
Exact Mass584.19
IUPAC Nameethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(-c3ccn4c(C(=O)c5ccccc5)cc(C(=O)OCC)c4c3)cc12
InChIInChI=1S/C36H28N2O6/c1-3-43-35(41)27-21-31(33(39)23-11-7-5-8-12-23)37-17-15-25(19-29(27)37)26-16-18-38-30(20-26)28(36(42)44-4-2)22-32(38)34(40)24-13-9-6-10-14-24/h5-22H,3-4H2,1-2H3
InChIKeyBXHLQHDCHHALOW-UHFFFAOYSA-N
XLogP6.67
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.63
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,11-Dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester
CID 273769
Methyl 3-acetyl-1-indolizinecarboxylate
CID 821569
Dimethyl 3-benzoyl-1,2-indolizinedicarboxylate
CID 820872
Ethyl 2-(3-aminophenyl)indolizine-1-carboxylate
CID 1481502
Ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 14900032
Ethyl 5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 16090079
2-Pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188471
2-Piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188472
2-Morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188473
3-Piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188474
3-Morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188475
Ethyl 2-phenylindolizine-1-carboxylate
CID 3540091

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate?
The IUPAC name of ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate (CID 10886398) is ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(-c3ccn4c(C(=O)c5ccccc5)cc(C(=O)OCC)c4c3)cc12.
What is the InChIKey of ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate?
The InChIKey is BXHLQHDCHHALOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2O6/c1-3-43-35(41)27-21-31(33(39)23-11-7-5-8-12-23)37-17-15-25(19-29(27)37)26-16-18-38-30(20-26)28(36(42)44-4-2)22-32(38)34(40)24-13-9-6-10-14-24/h5-22H,3-4H2,1-2H3.
What are the key properties of ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate?
ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate has a molecular weight of 584.63 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzoyl-7-(3-benzoyl-1-ethoxycarbonylindolizin-7-yl)indolizine-1-carboxylate is sourced from PubChem (CID 10886398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).