3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid

C23H17NO4 — CID 1386306

IUPAC3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid
SMILESCOc1ccc(-c2cc3cc(C(=O)O)ccn3c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17NO4/c1-28-19-9-7-15(8-10-19)20-14-18-13-17(23(26)27)11-12-24(18)21(20)22(25)16-5-3-2-4-6-16/h2-14H,1H3,(H,26,27)
InChIKeySILKZBFRWZWCJR-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.54
Rot. Bonds5

About 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid

3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid (PubChem CID 1386306) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid.

Molecular Properties

Compound Name3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid
PubChem CID1386306
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid
SMILESCOc1ccc(-c2cc3cc(C(=O)O)ccn3c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17NO4/c1-28-19-9-7-15(8-10-19)20-14-18-13-17(23(26)27)11-12-24(18)21(20)22(25)16-5-3-2-4-6-16/h2-14H,1H3,(H,26,27)
InChIKeySILKZBFRWZWCJR-UHFFFAOYSA-N
XLogP4.54
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_I(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid?
The IUPAC name of 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid (CID 1386306) is 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid.
What is the SMILES notation for 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid?
The canonical SMILES for 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid is COc1ccc(-c2cc3cc(C(=O)O)ccn3c2C(=O)c2ccccc2)cc1.
What is the InChIKey of 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid?
The InChIKey is SILKZBFRWZWCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-28-19-9-7-15(8-10-19)20-14-18-13-17(23(26)27)11-12-24(18)21(20)22(25)16-5-3-2-4-6-16/h2-14H,1H3,(H,26,27).
What are the key properties of 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid?
3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 1386306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).