7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

C23H22F2N4O — CID 22580715

About 7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide

7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (PubChem CID 22580715) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 g/mol. Its IUPAC name is 7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
• PubChem CID: 22580715
• Molecular Formula: C23H22F2N4O
• Molecular Weight: 408.45 g/mol
• Exact Mass: 408.18
• IUPAC Name: 7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
• SMILES: Cc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1F
• InChI: InChI=1S/C23H22F2N4O/c1-15-4-6-17(14-18(15)25)26-22(30)28-11-8-23(9-12-28)21-3-2-10-29(21)20-7-5-16(24)13-19(20)27-23/h2-7,10,13-14,27H,8-9,11-12H2,1H3,(H,26,30)
• InChIKey: ZZUYOIOQQRLSKG-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 49.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.45
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?

The IUPAC name of 7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide (CID 22580715) is 7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide.

What is the SMILES notation for 7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?

The canonical SMILES for 7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is Cc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1F.

What is the InChIKey of 7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?

The InChIKey is ZZUYOIOQQRLSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c1-15-4-6-17(14-18(15)25)26-22(30)28-11-8-23(9-12-28)21-3-2-10-29(21)20-7-5-16(24)13-19(20)27-23/h2-7,10,13-14,27H,8-9,11-12H2,1H3,(H,26,30).

What are the key properties of 7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide?

7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 5.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 22580715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).