N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

C23H23ClN4O2 — CID 46357445

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

N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (PubChem CID 46357445) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
• PubChem CID: 46357445
• Molecular Formula: C23H23ClN4O2
• Molecular Weight: 422.92 g/mol
• Exact Mass: 422.15
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
• SMILES: COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12
• InChI: InChI=1S/C23H23ClN4O2/c1-30-20-9-8-16(24)15-18(20)25-22(29)27-13-10-23(11-14-27)21-7-4-12-28(21)19-6-3-2-5-17(19)26-23/h2-9,12,15,26H,10-11,13-14H2,1H3,(H,25,29)
• InChIKey: DQDSNCSTFMNYKI-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 58.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.92
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (CID 46357445) is N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

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

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12.

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

The InChIKey is DQDSNCSTFMNYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-30-20-9-8-16(24)15-18(20)25-22(29)27-13-10-23(11-14-27)21-7-4-12-28(21)19-6-3-2-5-17(19)26-23/h2-9,12,15,26H,10-11,13-14H2,1H3,(H,25,29).

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

N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 5.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 46357445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).