ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate

C26H21NO5 — CID 4052671

IUPACethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cccc(OC)c2)n2ccc(C(=O)c3ccccc3)cc12
InChIInChI=1S/C26H21NO5/c1-3-32-26(30)21-16-23(25(29)18-10-7-11-20(14-18)31-2)27-13-12-19(15-22(21)27)24(28)17-8-5-4-6-9-17/h4-16H,3H2,1-2H3
InChIKeyINEIOIWGYAIQTF-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.59
Rot. Bonds7

About ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate

ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate (PubChem CID 4052671) has the molecular formula C26H21NO5 and a molecular weight of 427.46 g/mol. Its IUPAC name is ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
PubChem CID4052671
Molecular FormulaC26H21NO5
Molecular Weight427.46 g/mol
Exact Mass427.14
IUPAC Nameethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cccc(OC)c2)n2ccc(C(=O)c3ccccc3)cc12
InChIInChI=1S/C26H21NO5/c1-3-32-26(30)21-16-23(25(29)18-10-7-11-20(14-18)31-2)27-13-12-19(15-22(21)27)24(28)17-8-5-4-6-9-17/h4-16H,3H2,1-2H3
InChIKeyINEIOIWGYAIQTF-UHFFFAOYSA-N
XLogP4.59
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate
CID 171462969
ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate
CID 170530629
ethyl 3-(4-bromobenzoyl)-7-[3-(4-bromobenzoyl)-1-ethoxycarbonylindolizin-7-yl]indolizine-1-carboxylate
CID 101053717
ethyl 7-benzoyl-3-(4-methylphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 3424246
ethyl 7-benzoyl-3-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4280668
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
ethyl 7-benzoyl-3-(4-hydroxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 3461787
ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 45051074
ethyl 3-(3,5-dimethoxybenzoyl)-7-[1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]pyridin-1-ium-4-yl]indolizine-1-carboxylate bromide
CID 164946316
[1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone
CID 3248899
ethyl 7-methoxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]indolizine-1-carboxylate
CID 127043147
ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 4188647

Frequently Asked Questions

What is the IUPAC name of ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate (CID 4052671) is ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2cccc(OC)c2)n2ccc(C(=O)c3ccccc3)cc12.
What is the InChIKey of ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate?
The InChIKey is INEIOIWGYAIQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO5/c1-3-32-26(30)21-16-23(25(29)18-10-7-11-20(14-18)31-2)27-13-12-19(15-22(21)27)24(28)17-8-5-4-6-9-17/h4-16H,3H2,1-2H3.
What are the key properties of ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate?
ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate has a molecular weight of 427.46 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate is sourced from PubChem (CID 4052671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).