3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid

C24H21NO3 — CID 18771216

IUPAC3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid
SMILESCc1c(C(=O)O)c2c(OCc3ccccc3)cccn2c1Cc1ccccc1
InChIInChI=1S/C24H21NO3/c1-17-20(15-18-9-4-2-5-10-18)25-14-8-13-21(23(25)22(17)24(26)27)28-16-19-11-6-3-7-12-19/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeyJFPMZCMOWXSQFQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.12
Rot. Bonds6

About 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid

3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid (PubChem CID 18771216) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid.

Molecular Properties

Compound Name3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid
PubChem CID18771216
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid
SMILESCc1c(C(=O)O)c2c(OCc3ccccc3)cccn2c1Cc1ccccc1
InChIInChI=1S/C24H21NO3/c1-17-20(15-18-9-4-2-5-10-18)25-14-8-13-21(23(25)22(17)24(26)27)28-16-19-11-6-3-7-12-19/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeyJFPMZCMOWXSQFQ-UHFFFAOYSA-N
XLogP5.12
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid?
The IUPAC name of 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid (CID 18771216) is 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid.
What is the SMILES notation for 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid?
The canonical SMILES for 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid is Cc1c(C(=O)O)c2c(OCc3ccccc3)cccn2c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid?
The InChIKey is JFPMZCMOWXSQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-17-20(15-18-9-4-2-5-10-18)25-14-8-13-21(23(25)22(17)24(26)27)28-16-19-11-6-3-7-12-19/h2-14H,15-16H2,1H3,(H,26,27).
What are the key properties of 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid?
3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid has a molecular weight of 371.44 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylic acid is sourced from PubChem (CID 18771216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).