ethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate

C19H16ClNO3 — CID 23270008

IUPACethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate
SMILESCCOC(=O)c1ccn2c(C(=O)c3ccc(Cl)cc3)c(C)cc2c1
InChIInChI=1S/C19H16ClNO3/c1-3-24-19(23)14-8-9-21-16(11-14)10-12(2)17(21)18(22)13-4-6-15(20)7-5-13/h4-11H,3H2,1-2H3
InChIKeyICJVGVWCGIOMJN-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.31
Rot. Bonds4

About ethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate

ethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate (PubChem CID 23270008) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is ethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate
PubChem CID23270008
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Nameethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate
SMILESCCOC(=O)c1ccn2c(C(=O)c3ccc(Cl)cc3)c(C)cc2c1
InChIInChI=1S/C19H16ClNO3/c1-3-24-19(23)14-8-9-21-16(11-14)10-12(2)17(21)18(22)13-4-6-15(20)7-5-13/h4-11H,3H2,1-2H3
InChIKeyICJVGVWCGIOMJN-UHFFFAOYSA-N
XLogP4.31
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate?
The IUPAC name of ethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate (CID 23270008) is ethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate.
What is the SMILES notation for ethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate?
The canonical SMILES for ethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate is CCOC(=O)c1ccn2c(C(=O)c3ccc(Cl)cc3)c(C)cc2c1.
What is the InChIKey of ethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate?
The InChIKey is ICJVGVWCGIOMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-3-24-19(23)14-8-9-21-16(11-14)10-12(2)17(21)18(22)13-4-6-15(20)7-5-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate?
ethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate has a molecular weight of 341.79 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorobenzoyl)-2-methylindolizine-7-carboxylate is sourced from PubChem (CID 23270008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).