N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide

C57H74Cl4N8O8 — CID 170343647

About N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide

N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide (PubChem CID 170343647) has the molecular formula C57H74Cl4N8O8 and a molecular weight of 1141.08 g/mol. Its IUPAC name is N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide.

Molecular Properties

• Compound Name: N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide
• PubChem CID: 170343647
• Molecular Formula: C57H74Cl4N8O8
• Molecular Weight: 1141.08 g/mol
• Exact Mass: 1138.44
• IUPAC Name: N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide
• SMILES: Cc1cc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)ccc1CCN(C=O)CCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCN1CCc2ccc(C3CN(C)Cc4c(Cl)cc(Cl)cc43)cc2C1=O
• InChI: InChI=1S/C57H74Cl4N8O8/c1-39-28-42(49-34-66(2)36-51-47(49)30-44(58)32-53(51)60)8-6-40(39)10-16-68(38-70)18-22-76-26-24-74-20-14-64-56(72)62-12-4-5-13-63-57(73)65-15-21-75-25-27-77-23-19-69-17-11-41-7-9-43(29-46(41)55(69)71)50-35-67(3)37-52-48(50)31-45(59)33-54(52)61/h6-9,28-33,38,49-50H,4-5,10-27,34-37H2,1-3H3,(H2,62,64,72)(H2,63,65,73)
• InChIKey: FKEJBFAVFDTHRU-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 166.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 29
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1141.08
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide?

The IUPAC name of N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide (CID 170343647) is N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide.

What is the SMILES notation for N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide?

The canonical SMILES for N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide is Cc1cc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)ccc1CCN(C=O)CCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCN1CCc2ccc(C3CN(C)Cc4c(Cl)cc(Cl)cc43)cc2C1=O.

What is the InChIKey of N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide?

The InChIKey is FKEJBFAVFDTHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H74Cl4N8O8/c1-39-28-42(49-34-66(2)36-51-47(49)30-44(58)32-53(51)60)8-6-40(39)10-16-68(38-70)18-22-76-26-24-74-20-14-64-56(72)62-12-4-5-13-63-57(73)65-15-21-75-25-27-77-23-19-69-17-11-41-7-9-43(29-46(41)55(69)71)50-35-67(3)37-52-48(50)31-45(59)33-54(52)61/h6-9,28-33,38,49-50H,4-5,10-27,34-37H2,1-3H3,(H2,62,64,72)(H2,63,65,73).

What are the key properties of N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide?

N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide has a molecular weight of 1141.08 g/mol, XLogP of 7.91, 29 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-2-methylphenyl]ethyl]-N-[2-[2-[2-[4-[2-[2-[2-[7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1-oxo-3,4-dihydroisoquinolin-2-yl]ethoxy]ethoxy]ethylcarbamoylamino]butylcarbamoylamino]ethoxy]ethoxy]ethyl]formamide is sourced from PubChem (CID 170343647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).