ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate

C18H14FNO3 — CID 165114067

IUPACethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cccc2c1
InChIInChI=1S/C18H14FNO3/c1-2-23-18(22)13-10-15-4-3-9-20(15)16(11-13)17(21)12-5-7-14(19)8-6-12/h3-11H,2H2,1H3
InChIKeyLIEQPJCMYRRFJT-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.49
Rot. Bonds4

About ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate

ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate (PubChem CID 165114067) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate
PubChem CID165114067
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Nameethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cccc2c1
InChIInChI=1S/C18H14FNO3/c1-2-23-18(22)13-10-15-4-3-9-20(15)16(11-13)17(21)12-5-7-14(19)8-6-12/h3-11H,2H2,1H3
InChIKeyLIEQPJCMYRRFJT-UHFFFAOYSA-N
XLogP3.49
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-(4-fluorobenzoyl)indolizine-7-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 5-(3-bromobenzoyl)indolizine-7-carboxylate
CID 165114047
ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate
CID 72701725
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate
CID 171758357
ethyl 4-[(4-fluorophenyl)methyl]benzoate
CID 71541120
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate
CID 10638760
methyl 5-(furan-2-carbonyl)indolizine-7-carboxylate
CID 165114034
ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 988020
ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
ethyl 11-(4-fluorobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate
CID 5215884
ethyl 4-amino-3,5-difluorobenzoate
CID 90041574

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate?
The IUPAC name of ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate (CID 165114067) is ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate is CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cccc2c1.
What is the InChIKey of ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate?
The InChIKey is LIEQPJCMYRRFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-2-23-18(22)13-10-15-4-3-9-20(15)16(11-13)17(21)12-5-7-14(19)8-6-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate?
ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate has a molecular weight of 311.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate is sourced from PubChem (CID 165114067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).