4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide

C101H120Cl8N8O19S4 — CID 159203609

About 4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide

4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide (PubChem CID 159203609) has the molecular formula C101H120Cl8N8O19S4 and a molecular weight of 2162.00 g/mol. Its IUPAC name is 4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide
• PubChem CID: 159203609
• Molecular Formula: C101H120Cl8N8O19S4
• Molecular Weight: 2162.00 g/mol
• Exact Mass: 2156.51
• IUPAC Name: 4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide
• SMILES: CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)CCCOCCOCCNC(=O)c3ccc(C(=O)CCCOCCOCCNS(=O)(=O)c4ccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)cc4)cc3)cc2)C1.CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCCC(=O)CCCOCCOCCNS(=O)(=O)c3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1
• InChI: InChI=1S/C54H62Cl4N4O10S2.C47H58Cl4N4O9S2/c1-61-33-47(45-29-41(55)31-51(57)49(45)35-61)37-10-14-43(15-11-37)73(65,66)28-4-21-70-25-26-71-22-18-59-54(64)40-8-6-39(7-9-40)53(63)5-3-20-69-24-27-72-23-19-60-74(67,68)44-16-12-38(13-17-44)48-34-62(2)36-50-46(48)30-42(56)32-52(50)58;1-54-29-42(40-25-35(48)27-46(50)44(40)31-54)33-7-11-38(12-8-33)65(57,58)52-15-19-63-23-21-61-17-3-5-37(56)6-4-18-62-22-24-64-20-16-53-66(59,60)39-13-9-34(10-14-39)43-30-55(2)32-45-41(43)26-36(49)28-47(45)51/h6-17,29-32,47-48,60H,3-5,18-28,33-36H2,1-2H3,(H,59,64);7-14,25-28,42-43,52-53H,3-6,15-24,29-32H2,1-2H3
• InChIKey: KPPFLJLMFGPWOV-UHFFFAOYSA-N
• XLogP: 16.96
• TPSA: 322.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 53
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2162.00
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide?

The IUPAC name of 4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide (CID 159203609) is 4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide.

What is the SMILES notation for 4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide?

The canonical SMILES for 4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)CCCOCCOCCNC(=O)c3ccc(C(=O)CCCOCCOCCNS(=O)(=O)c4ccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)cc4)cc3)cc2)C1.CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCCC(=O)CCCOCCOCCNS(=O)(=O)c3ccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1.

What is the InChIKey of 4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide?

The InChIKey is KPPFLJLMFGPWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H62Cl4N4O10S2.C47H58Cl4N4O9S2/c1-61-33-47(45-29-41(55)31-51(57)49(45)35-61)37-10-14-43(15-11-37)73(65,66)28-4-21-70-25-26-71-22-18-59-54(64)40-8-6-39(7-9-40)53(63)5-3-20-69-24-27-72-23-19-60-74(67,68)44-16-12-38(13-17-44)48-34-62(2)36-50-46(48)30-42(56)32-52(50)58;1-54-29-42(40-25-35(48)27-46(50)44(40)31-54)33-7-11-38(12-8-33)65(57,58)52-15-19-63-23-21-61-17-3-5-37(56)6-4-18-62-22-24-64-20-16-53-66(59,60)39-13-9-34(10-14-39)43-30-55(2)32-45-41(43)26-36(49)28-47(45)51/h6-17,29-32,47-48,60H,3-5,18-28,33-36H2,1-2H3,(H,59,64);7-14,25-28,42-43,52-53H,3-6,15-24,29-32H2,1-2H3.

What are the key properties of 4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide?

4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide has a molecular weight of 2162.00 g/mol, XLogP of 16.96, 53 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[7-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]-4-oxoheptoxy]ethoxy]ethyl]benzenesulfonamide;4-[4-[2-[2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]butanoyl]-N-[2-[2-[3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylpropoxy]ethoxy]ethyl]benzamide is sourced from PubChem (CID 159203609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).