ethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

C18H17Cl2NO3 — CID 86275282

IUPACethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccc(Cl)cc2Cl)c(=O)n2c1CCC2
InChIInChI=1S/C18H17Cl2NO3/c1-2-24-18(23)14-9-12(17(22)21-7-3-4-16(14)21)8-11-5-6-13(19)10-15(11)20/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyHJHXJGLEEZYTSC-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.87
Rot. Bonds4

About ethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

ethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (PubChem CID 86275282) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is ethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
PubChem CID86275282
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Nameethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccc(Cl)cc2Cl)c(=O)n2c1CCC2
InChIInChI=1S/C18H17Cl2NO3/c1-2-24-18(23)14-9-12(17(22)21-7-3-4-16(14)21)8-11-5-6-13(19)10-15(11)20/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyHJHXJGLEEZYTSC-UHFFFAOYSA-N
XLogP3.87
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The IUPAC name of ethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (CID 86275282) is ethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.
What is the SMILES notation for ethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The canonical SMILES for ethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is CCOC(=O)c1cc(Cc2ccc(Cl)cc2Cl)c(=O)n2c1CCC2.
What is the InChIKey of ethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The InChIKey is HJHXJGLEEZYTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-2-24-18(23)14-9-12(17(22)21-7-3-4-16(14)21)8-11-5-6-13(19)10-15(11)20/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of ethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
ethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate has a molecular weight of 366.24 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2,4-dichlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 86275282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).