6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide

C60H87N15O15 — CID 122451920

About 6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide

6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide (PubChem CID 122451920) has the molecular formula C60H87N15O15 and a molecular weight of 1258.45 g/mol. Its IUPAC name is 6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide
• PubChem CID: 122451920
• Molecular Formula: C60H87N15O15
• Molecular Weight: 1258.45 g/mol
• Exact Mass: 1257.65
• IUPAC Name: 6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide
• SMILES: CCN(CC)CCNC(=O)c1cnc2cc(NC(=O)NCCOCCNC(=O)CCOCCOc3cc(C(N)=O)cc(OCCO)c3OCCOC(C)CC(=O)NCCOCCNC(=O)Nc3ccc4nc(C(=O)NCCN(CC)CC)cnc4c3)ccc2n1
• InChI: InChI=1S/C60H87N15O15/c1-6-74(7-2)21-15-64-57(80)49-39-68-47-37-43(10-12-45(47)72-49)70-59(82)66-19-27-85-25-17-62-53(77)14-24-84-30-31-89-52-36-42(56(61)79)35-51(88-29-23-76)55(52)90-33-32-87-41(5)34-54(78)63-18-26-86-28-20-67-60(83)71-44-11-13-46-48(38-44)69-40-50(73-46)58(81)65-16-22-75(8-3)9-4/h10-13,35-41,76H,6-9,14-34H2,1-5H3,(H2,61,79)(H,62,77)(H,63,78)(H,64,80)(H,65,81)(H2,66,70,82)(H2,67,71,83)
• InChIKey: LVEWSWQQMNHGKK-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 384.63 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 44
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1258.45
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

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-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide?

The IUPAC name of 6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide (CID 122451920) is 6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide.

What is the SMILES notation for 6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide?

The canonical SMILES for 6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide is CCN(CC)CCNC(=O)c1cnc2cc(NC(=O)NCCOCCNC(=O)CCOCCOc3cc(C(N)=O)cc(OCCO)c3OCCOC(C)CC(=O)NCCOCCNC(=O)Nc3ccc4nc(C(=O)NCCN(CC)CC)cnc4c3)ccc2n1.

What is the InChIKey of 6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide?

The InChIKey is LVEWSWQQMNHGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H87N15O15/c1-6-74(7-2)21-15-64-57(80)49-39-68-47-37-43(10-12-45(47)72-49)70-59(82)66-19-27-85-25-17-62-53(77)14-24-84-30-31-89-52-36-42(56(61)79)35-51(88-29-23-76)55(52)90-33-32-87-41(5)34-54(78)63-18-26-86-28-20-67-60(83)71-44-11-13-46-48(38-44)69-40-50(73-46)58(81)65-16-22-75(8-3)9-4/h10-13,35-41,76H,6-9,14-34H2,1-5H3,(H2,61,79)(H,62,77)(H,63,78)(H,64,80)(H,65,81)(H2,66,70,82)(H2,67,71,83).

What are the key properties of 6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide?

6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide has a molecular weight of 1258.45 g/mol, XLogP of 2.05, 44 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[2-[3-[2-[5-carbamoyl-2-[2-[4-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethylamino]-4-oxobutan-2-yl]oxyethoxy]-3-(2-hydroxyethoxy)phenoxy]ethoxy]propanoylamino]ethoxy]ethylcarbamoylamino]-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 122451920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).