methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate

C23H19NO3 — CID 71559881

IUPACmethyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(-c3ccc(OC)cc3)cn3cccc23)cc1
InChIInChI=1S/C23H19NO3/c1-26-20-11-9-16(10-12-20)19-14-21(22-4-3-13-24(22)15-19)17-5-7-18(8-6-17)23(25)27-2/h3-15H,1-2H3
InChIKeyPMHCZUMPFGMEOR-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.07
Rot. Bonds4

About methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate

methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate (PubChem CID 71559881) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate
PubChem CID71559881
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Namemethyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(-c3ccc(OC)cc3)cn3cccc23)cc1
InChIInChI=1S/C23H19NO3/c1-26-20-11-9-16(10-12-20)19-14-21(22-4-3-13-24(22)15-19)17-5-7-18(8-6-17)23(25)27-2/h3-15H,1-2H3
InChIKeyPMHCZUMPFGMEOR-UHFFFAOYSA-N
XLogP5.07
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate?
The IUPAC name of methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate (CID 71559881) is methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate.
What is the SMILES notation for methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate?
The canonical SMILES for methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate is COC(=O)c1ccc(-c2cc(-c3ccc(OC)cc3)cn3cccc23)cc1.
What is the InChIKey of methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate?
The InChIKey is PMHCZUMPFGMEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-26-20-11-9-16(10-12-20)19-14-21(22-4-3-13-24(22)15-19)17-5-7-18(8-6-17)23(25)27-2/h3-15H,1-2H3.
What are the key properties of methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate?
methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate has a molecular weight of 357.41 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate is sourced from PubChem (CID 71559881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).