[2-[5-(6-cyclopropyloxy-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopropyl] N-[3,3-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

C35H50N4O6 — CID 123641879

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

[2-[5-(6-cyclopropyloxy-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopropyl] N-[3,3-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 123641879) has the molecular formula C35H50N4O6 and a molecular weight of 622.81 g/mol. Its IUPAC name is [2-[5-(6-cyclopropyloxy-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopropyl] N-[3,3-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: [2-[5-(6-cyclopropyloxy-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopropyl] N-[3,3-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
• PubChem CID: 123641879
• Molecular Formula: C35H50N4O6
• Molecular Weight: 622.81 g/mol
• Exact Mass: 622.37
• IUPAC Name: [2-[5-(6-cyclopropyloxy-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopropyl] N-[3,3-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
• SMILES: CC(C)C(=O)C1C(C)CCN1C(=O)C(NC(=O)OC1CC1CCCCCc1nc2ccc(OC3CC3)cc2[nH]c1=O)C(C)(C)C
• InChI: InChI=1S/C35H50N4O6/c1-20(2)30(40)29-21(3)16-17-39(29)33(42)31(35(4,5)6)38-34(43)45-28-18-22(28)10-8-7-9-11-26-32(41)37-27-19-24(44-23-12-13-23)14-15-25(27)36-26/h14-15,19-23,28-29,31H,7-13,16-18H2,1-6H3,(H,37,41)(H,38,43)
• InChIKey: BIHSYKXVWLZJCO-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 130.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.81
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [2-[5-(6-cyclopropyloxy-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopropyl] N-[3,3-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (CID 123641879) is [2-[5-(6-cyclopropyloxy-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopropyl] N-[3,3-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.

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

The canonical SMILES for [2-[5-(6-cyclopropyloxy-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopropyl] N-[3,3-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is CC(C)C(=O)C1C(C)CCN1C(=O)C(NC(=O)OC1CC1CCCCCc1nc2ccc(OC3CC3)cc2[nH]c1=O)C(C)(C)C.

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

The InChIKey is BIHSYKXVWLZJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50N4O6/c1-20(2)30(40)29-21(3)16-17-39(29)33(42)31(35(4,5)6)38-34(43)45-28-18-22(28)10-8-7-9-11-26-32(41)37-27-19-24(44-23-12-13-23)14-15-25(27)36-26/h14-15,19-23,28-29,31H,7-13,16-18H2,1-6H3,(H,37,41)(H,38,43).

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

[2-[5-(6-cyclopropyloxy-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopropyl] N-[3,3-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 622.81 g/mol, XLogP of 5.56, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-(6-cyclopropyloxy-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopropyl] N-[3,3-dimethyl-1-[3-methyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 123641879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).