2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol

C24H38N2O5 — CID 126699641

About 2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol (PubChem CID 126699641) has the molecular formula C24H38N2O5 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 126699641
• Molecular Formula: C24H38N2O5
• Molecular Weight: 434.58 g/mol
• Exact Mass: 434.28
• IUPAC Name: 2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCCCOc1nc2c(C)ccc(C)c2nc1COCCOCCOCCO
• InChI: InChI=1S/C24H38N2O5/c1-4-5-6-7-8-12-31-24-21(18-30-17-16-29-15-14-28-13-11-27)25-22-19(2)9-10-20(3)23(22)26-24/h9-10,27H,4-8,11-18H2,1-3H3
• InChIKey: ZXPYPGGLJXKNRG-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 82.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.58
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
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-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol (CID 126699641) is 2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol is CCCCCCCOc1nc2c(C)ccc(C)c2nc1COCCOCCOCCO.

What is the InChIKey of 2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol?

The InChIKey is ZXPYPGGLJXKNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O5/c1-4-5-6-7-8-12-31-24-21(18-30-17-16-29-15-14-28-13-11-27)25-22-19(2)9-10-20(3)23(22)26-24/h9-10,27H,4-8,11-18H2,1-3H3.

What are the key properties of 2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol has a molecular weight of 434.58 g/mol, XLogP of 4.14, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 126699641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).