[2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate

C36H51F3N4O5 — CID 123994361

About [2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate

[2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate (PubChem CID 123994361) has the molecular formula C36H51F3N4O5 and a molecular weight of 676.82 g/mol. Its IUPAC name is [2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: [2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate
• PubChem CID: 123994361
• Molecular Formula: C36H51F3N4O5
• Molecular Weight: 676.82 g/mol
• Exact Mass: 676.38
• IUPAC Name: [2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate
• SMILES: CC(C)C(=O)C1C(C)CCN1C(=O)C(CC(C)(C)C)NC(=O)OC1CCCC1CCCCCc1nc2ccc(C(F)(F)F)cc2[nH]c1=O
• InChI: InChI=1S/C36H51F3N4O5/c1-21(2)31(44)30-22(3)17-18-43(30)33(46)28(20-35(4,5)6)42-34(47)48-29-14-10-12-23(29)11-8-7-9-13-26-32(45)41-27-19-24(36(37,38)39)15-16-25(27)40-26/h15-16,19,21-23,28-30H,7-14,17-18,20H2,1-6H3,(H,41,45)(H,42,47)
• InChIKey: AVTXPFLXGKNKDX-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 121.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.82
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate?

The IUPAC name of [2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate (CID 123994361) is [2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate.

What is the SMILES notation for [2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate?

The canonical SMILES for [2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate is CC(C)C(=O)C1C(C)CCN1C(=O)C(CC(C)(C)C)NC(=O)OC1CCCC1CCCCCc1nc2ccc(C(F)(F)F)cc2[nH]c1=O.

What is the InChIKey of [2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate?

The InChIKey is AVTXPFLXGKNKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51F3N4O5/c1-21(2)31(44)30-22(3)17-18-43(30)33(46)28(20-35(4,5)6)42-34(47)48-29-14-10-12-23(29)11-8-7-9-13-26-32(45)41-27-19-24(36(37,38)39)15-16-25(27)40-26/h15-16,19,21-23,28-30H,7-14,17-18,20H2,1-6H3,(H,41,45)(H,42,47).

What are the key properties of [2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate?

[2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate has a molecular weight of 676.82 g/mol, XLogP of 7.21, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]pentyl]cyclopentyl] N-[4,4-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 123994361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).