ethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate

C25H20ClN3O4 — CID 71597347

IUPACethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccc(C(=O)NCc3ccccn3)cc12
InChIInChI=1S/C25H20ClN3O4/c1-2-33-25(32)20-14-22(23(30)16-6-8-18(26)9-7-16)29-12-10-17(13-21(20)29)24(31)28-15-19-5-3-4-11-27-19/h3-14H,2,15H2,1H3,(H,28,31)
InChIKeyLIXDDTMCXJGUBY-UHFFFAOYSA-N
MW461.91 g/mol
LogP4.33
Rot. Bonds7

About ethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate

ethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate (PubChem CID 71597347) has the molecular formula C25H20ClN3O4 and a molecular weight of 461.91 g/mol. Its IUPAC name is ethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate
PubChem CID71597347
Molecular FormulaC25H20ClN3O4
Molecular Weight461.91 g/mol
Exact Mass461.11
IUPAC Nameethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccc(C(=O)NCc3ccccn3)cc12
InChIInChI=1S/C25H20ClN3O4/c1-2-33-25(32)20-14-22(23(30)16-6-8-18(26)9-7-16)29-12-10-17(13-21(20)29)24(31)28-15-19-5-3-4-11-27-19/h3-14H,2,15H2,1H3,(H,28,31)
InChIKeyLIXDDTMCXJGUBY-UHFFFAOYSA-N
XLogP4.33
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 59657559
Ethyl 2-(4-chlorophenyl)indolizine-1-carboxylate
CID 3772753
Ethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 24939278
ethyl 3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-methoxyindolizine-1-carboxylate
CID 127043331
Ethyl 8-[3-(dimethylamino)propanoylamino]-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 145949510
3-Piperidin-1-ylpropyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 145952029
2-Piperidin-1-ylethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 145960226
Ethyl 7-(4-chlorobenzoyl)pyrrolo[1,2-B]pyridazine-5-carboxylate
CID 4151545
Ethyl 10-chloro-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 44567521
Prop-2-ynyl 3-(4-chlorobenzoyl)-5-methylindolizine-1-carboxylate
CID 118724673
2-Pyrrolidin-1-ylethyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 145952804
3-Pyrrolidin-1-ylpropyl 7-chloro-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 145971244

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate (CID 71597347) is ethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccc(C(=O)NCc3ccccn3)cc12.
What is the InChIKey of ethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate?
The InChIKey is LIXDDTMCXJGUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O4/c1-2-33-25(32)20-14-22(23(30)16-6-8-18(26)9-7-16)29-12-10-17(13-21(20)29)24(31)28-15-19-5-3-4-11-27-19/h3-14H,2,15H2,1H3,(H,28,31).
What are the key properties of ethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate?
ethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate has a molecular weight of 461.91 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorobenzoyl)-7-(pyridin-2-ylmethylcarbamoyl)indolizine-1-carboxylate is sourced from PubChem (CID 71597347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).