7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

C25H28N4O3 — CID 53030260

About 7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (PubChem CID 53030260) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: 7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
• PubChem CID: 53030260
• Molecular Formula: C25H28N4O3
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.22
• IUPAC Name: 7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
• SMILES: COc1ccc2c(c1)NC1(CCN(C(=O)Nc3cc(C)ccc3OC)CC1)c1cccn1-2
• InChI: InChI=1S/C25H28N4O3/c1-17-6-9-22(32-3)20(15-17)26-24(30)28-13-10-25(11-14-28)23-5-4-12-29(23)21-8-7-18(31-2)16-19(21)27-25/h4-9,12,15-16,27H,10-11,13-14H2,1-3H3,(H,26,30)
• InChIKey: FNBUGWZSQPJUOK-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 67.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?

The IUPAC name of 7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (CID 53030260) is 7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

What is the SMILES notation for 7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?

The canonical SMILES for 7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is COc1ccc2c(c1)NC1(CCN(C(=O)Nc3cc(C)ccc3OC)CC1)c1cccn1-2.

What is the InChIKey of 7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?

The InChIKey is FNBUGWZSQPJUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-6-9-22(32-3)20(15-17)26-24(30)28-13-10-25(11-14-28)23-5-4-12-29(23)21-8-7-18(31-2)16-19(21)27-25/h4-9,12,15-16,27H,10-11,13-14H2,1-3H3,(H,26,30).

What are the key properties of 7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?

7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 53030260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).