[2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

C31H45N5O6 — CID 123524361

About [2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

[2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 123524361) has the molecular formula C31H45N5O6 and a molecular weight of 583.73 g/mol. Its IUPAC name is [2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: [2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
• PubChem CID: 123524361
• Molecular Formula: C31H45N5O6
• Molecular Weight: 583.73 g/mol
• Exact Mass: 583.34
• IUPAC Name: [2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
• SMILES: CCC1CCN(C(=O)CNC(=O)OC2CC2CCCCCc2nc3ccc(OCCN)cc3[nH]c2=O)C1C(=O)C(C)C
• InChI: InChI=1S/C31H45N5O6/c1-4-20-12-14-36(28(20)29(38)19(2)3)27(37)18-33-31(40)42-26-16-21(26)8-6-5-7-9-24-30(39)35-25-17-22(41-15-13-32)10-11-23(25)34-24/h10-11,17,19-21,26,28H,4-9,12-16,18,32H2,1-3H3,(H,33,40)(H,35,39)
• InChIKey: OYQRSFQMCPLZJW-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 156.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.73
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?

The IUPAC name of [2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 123524361) is [2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.

What is the SMILES notation for [2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?

The canonical SMILES for [2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is CCC1CCN(C(=O)CNC(=O)OC2CC2CCCCCc2nc3ccc(OCCN)cc3[nH]c2=O)C1C(=O)C(C)C.

What is the InChIKey of [2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?

The InChIKey is OYQRSFQMCPLZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N5O6/c1-4-20-12-14-36(28(20)29(38)19(2)3)27(37)18-33-31(40)42-26-16-21(26)8-6-5-7-9-24-30(39)35-25-17-22(41-15-13-32)10-11-23(25)34-24/h10-11,17,19-21,26,28H,4-9,12-16,18,32H2,1-3H3,(H,33,40)(H,35,39).

What are the key properties of [2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?

[2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 583.73 g/mol, XLogP of 3.33, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-[6-(2-aminoethoxy)-3-oxo-4H-quinoxalin-2-yl]pentyl]cyclopropyl] N-[2-[3-ethyl-2-(2-methylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 123524361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).