6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide

C26H43N7O4 — CID 122448998

About 6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide

6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide (PubChem CID 122448998) has the molecular formula C26H43N7O4 and a molecular weight of 517.68 g/mol. Its IUPAC name is 6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide
• PubChem CID: 122448998
• Molecular Formula: C26H43N7O4
• Molecular Weight: 517.68 g/mol
• Exact Mass: 517.34
• IUPAC Name: 6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide
• SMILES: CCN(CC)CCNC(=O)c1cnc2cc(NC(=O)NCCOCCOCCNC(C)(C)C)ccc2n1
• InChI: InChI=1S/C26H43N7O4/c1-6-33(7-2)13-10-27-24(34)23-19-29-22-18-20(8-9-21(22)32-23)31-25(35)28-11-14-36-16-17-37-15-12-30-26(3,4)5/h8-9,18-19,30H,6-7,10-17H2,1-5H3,(H,27,34)(H2,28,31,35)
• InChIKey: ROPUEYFBMLGGLL-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 129.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.68
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	4
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 6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide?

The IUPAC name of 6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide (CID 122448998) is 6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide.

What is the SMILES notation for 6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide?

The canonical SMILES for 6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide is CCN(CC)CCNC(=O)c1cnc2cc(NC(=O)NCCOCCOCCNC(C)(C)C)ccc2n1.

What is the InChIKey of 6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide?

The InChIKey is ROPUEYFBMLGGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N7O4/c1-6-33(7-2)13-10-27-24(34)23-19-29-22-18-20(8-9-21(22)32-23)31-25(35)28-11-14-36-16-17-37-15-12-30-26(3,4)5/h8-9,18-19,30H,6-7,10-17H2,1-5H3,(H,27,34)(H2,28,31,35).

What are the key properties of 6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide?

6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide has a molecular weight of 517.68 g/mol, XLogP of 2.24, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 122448998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).