2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide

C34H27N3O3 — CID 18771269

About 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide

2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide (PubChem CID 18771269) has the molecular formula C34H27N3O3 and a molecular weight of 525.61 g/mol. Its IUPAC name is 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
• PubChem CID: 18771269
• Molecular Formula: C34H27N3O3
• Molecular Weight: 525.61 g/mol
• Exact Mass: 525.21
• IUPAC Name: 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
• SMILES: Cc1c(C(=O)C(N)=O)c2c(OCc3ccc4ccccc4n3)cccn2c1Cc1ccccc1-c1ccccc1
• InChI: InChI=1S/C34H27N3O3/c1-22-29(20-25-13-5-7-14-27(25)23-10-3-2-4-11-23)37-19-9-16-30(32(37)31(22)33(38)34(35)39)40-21-26-18-17-24-12-6-8-15-28(24)36-26/h2-19H,20-21H2,1H3,(H2,35,39)
• InChIKey: ZVAFUADPAJWMSG-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 86.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.61
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?

The IUPAC name of 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide (CID 18771269) is 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide.

What is the SMILES notation for 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?

The canonical SMILES for 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide is Cc1c(C(=O)C(N)=O)c2c(OCc3ccc4ccccc4n3)cccn2c1Cc1ccccc1-c1ccccc1.

What is the InChIKey of 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?

The InChIKey is ZVAFUADPAJWMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3O3/c1-22-29(20-25-13-5-7-14-27(25)23-10-3-2-4-11-23)37-19-9-16-30(32(37)31(22)33(38)34(35)39)40-21-26-18-17-24-12-6-8-15-28(24)36-26/h2-19H,20-21H2,1H3,(H2,35,39).

What are the key properties of 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide?

2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide has a molecular weight of 525.61 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 18771269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).