N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide

C58H66Cl4N8O7 — CID 129158113

About N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide

N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide (PubChem CID 129158113) has the molecular formula C58H66Cl4N8O7 and a molecular weight of 1129.03 g/mol. Its IUPAC name is N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide
• PubChem CID: 129158113
• Molecular Formula: C58H66Cl4N8O7
• Molecular Weight: 1129.03 g/mol
• Exact Mass: 1126.38
• IUPAC Name: N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide
• SMILES: CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3ccc(NCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCNc4ccc(-c5cccc([C@@H]6CN(C)Cc7c(Cl)cc(Cl)cc76)c5)cn4)nc3)c2)C1
• InChI: InChI=1S/C58H66Cl4N8O7/c1-69-33-49(47-27-45(59)29-53(61)51(47)35-69)41-7-3-5-39(25-41)43-9-11-55(67-31-43)63-13-17-73-21-23-75-19-15-65-57(71)37-77-38-58(72)66-16-20-76-24-22-74-18-14-64-56-12-10-44(32-68-56)40-6-4-8-42(26-40)50-34-70(2)36-52-48(50)28-46(60)30-54(52)62/h3-12,25-32,49-50H,13-24,33-38H2,1-2H3,(H,63,67)(H,64,68)(H,65,71)(H,66,72)/t49-,50-/m0/s1
• InChIKey: GTGCBQWKMAREPW-WLTNIFSVSA-N
• XLogP: 9.42
• TPSA: 160.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 28
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1129.03
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide?

The IUPAC name of N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide (CID 129158113) is N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide.

What is the SMILES notation for N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide?

The canonical SMILES for N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide is CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3ccc(NCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCNc4ccc(-c5cccc([C@@H]6CN(C)Cc7c(Cl)cc(Cl)cc76)c5)cn4)nc3)c2)C1.

What is the InChIKey of N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide?

The InChIKey is GTGCBQWKMAREPW-WLTNIFSVSA-N. The full InChI is InChI=1S/C58H66Cl4N8O7/c1-69-33-49(47-27-45(59)29-53(61)51(47)35-69)41-7-3-5-39(25-41)43-9-11-55(67-31-43)63-13-17-73-21-23-75-19-15-65-57(71)37-77-38-58(72)66-16-20-76-24-22-74-18-14-64-56-12-10-44(32-68-56)40-6-4-8-42(26-40)50-34-70(2)36-52-48(50)28-46(60)30-54(52)62/h3-12,25-32,49-50H,13-24,33-38H2,1-2H3,(H,63,67)(H,64,68)(H,65,71)(H,66,72)/t49-,50-/m0/s1.

What are the key properties of N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide?

N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide has a molecular weight of 1129.03 g/mol, XLogP of 9.42, 28 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethyl]-2-[2-[2-[2-[2-[[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetamide is sourced from PubChem (CID 129158113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).