ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate

C24H21NO2 — CID 71764017

IUPACethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C)n2cccc2c1-c1ccccc1
InChIInChI=1S/C24H21NO2/c1-3-27-24(26)23-21(18-11-6-4-7-12-18)17(2)25-16-10-15-20(25)22(23)19-13-8-5-9-14-19/h4-16H,3H2,1-2H3
InChIKeySJXFGVFDCBHHQS-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.76
Rot. Bonds4

About ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate

ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate (PubChem CID 71764017) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate
PubChem CID71764017
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Nameethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C)n2cccc2c1-c1ccccc1
InChIInChI=1S/C24H21NO2/c1-3-27-24(26)23-21(18-11-6-4-7-12-18)17(2)25-16-10-15-20(25)22(23)19-13-8-5-9-14-19/h4-16H,3H2,1-2H3
InChIKeySJXFGVFDCBHHQS-UHFFFAOYSA-N
XLogP5.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589
ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
CID 3261748
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
1-O-tert-butyl 3-O-ethyl 2,5-dimethyl-4-phenylpyrrole-1,3-dicarboxylate
CID 135007945
ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate
CID 67945560
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate
CID 3706589
ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate
CID 4564483
methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate
CID 102142816
diethyl 1-benzyl-5-methyl-3-phenylpyrrole-2,4-dicarboxylate
CID 67238833
ethyl 2-(3-chlorophenyl)-3-cyanoindolizine-1-carboxylate
CID 72701127
ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
CID 102058257

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate?
The IUPAC name of ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate (CID 71764017) is ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate.
What is the SMILES notation for ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate?
The canonical SMILES for ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate is CCOC(=O)c1c(-c2ccccc2)c(C)n2cccc2c1-c1ccccc1.
What is the InChIKey of ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate?
The InChIKey is SJXFGVFDCBHHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-3-27-24(26)23-21(18-11-6-4-7-12-18)17(2)25-16-10-15-20(25)22(23)19-13-8-5-9-14-19/h4-16H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate?
ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate is sourced from PubChem (CID 71764017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).