ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate

C24H19NO3 — CID 3261748

IUPACethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)c(C=O)n2ccccc12
InChIInChI=1S/C24H19NO3/c1-2-28-24(27)23-20-10-6-7-15-25(20)21(16-26)22(23)19-13-11-18(12-14-19)17-8-4-3-5-9-17/h3-16H,2H2,1H3
InChIKeyPPLAFPGKVHQXFC-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.26
Rot. Bonds5

About ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate

ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate (PubChem CID 3261748) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
PubChem CID3261748
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Nameethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)c(C=O)n2ccccc12
InChIInChI=1S/C24H19NO3/c1-2-28-24(27)23-20-10-6-7-15-25(20)21(16-26)22(23)19-13-11-18(12-14-19)17-8-4-3-5-9-17/h3-16H,2H2,1H3
InChIKeyPPLAFPGKVHQXFC-UHFFFAOYSA-N
XLogP5.26
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethyl 3-formyl-2-(4-phenylphenyl)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

ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate
CID 3706589
ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate
CID 4564483
ethyl 2-(2-chlorophenyl)-3-formylindolizine-1-carboxylate
CID 3700050
ethyl 2-[3,5-di(butan-2-yl)-4-methoxyphenyl]-3-formylindolizine-1-carboxylate
CID 3555463
ethyl 2-(3-ethyl-4-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 5204233
ethyl 2-(3-tert-butyl-4-ethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3817176
ethyl 2-(3-tert-butyl-4-methoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3693687
ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589
ethyl 2-(2-chloro-5-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3839129
ethyl 2-(2-bromo-5-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3788473
ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate
CID 3816336
ethyl 2-(4-ethoxy-2-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3830704

Frequently Asked Questions

What is the IUPAC name of ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate (CID 3261748) is ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate is CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)c(C=O)n2ccccc12.
What is the InChIKey of ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate?
The InChIKey is PPLAFPGKVHQXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-2-28-24(27)23-20-10-6-7-15-25(20)21(16-26)22(23)19-13-11-18(12-14-19)17-8-4-3-5-9-17/h3-16H,2H2,1H3.
What are the key properties of ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate?
ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate is sourced from PubChem (CID 3261748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).