4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one

C42H70N6O11 — CID 159761490

About 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one

4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one (PubChem CID 159761490) has the molecular formula C42H70N6O11 and a molecular weight of 835.05 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one.

Molecular Properties

• Compound Name: 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
• PubChem CID: 159761490
• Molecular Formula: C42H70N6O11
• Molecular Weight: 835.05 g/mol
• Exact Mass: 834.51
• IUPAC Name: 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
• SMILES: CCCCn1cc2c(n1)c(N)nc1ccc(N3CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)=O)CC3)cc12
• InChI: InChI=1S/C42H70N6O11/c1-3-4-8-48-35-39-38-34-37(5-6-40(38)44-42(43)41(39)45-48)47-11-9-46(10-12-47)13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-33-32-58-30-28-56-26-24-54-22-20-52-18-16-50-14-7-36(2)49/h5-6,34-35H,3-4,7-33H2,1-2H3,(H2,43,44)
• InChIKey: MZRMUAUKYBYKEO-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 172.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 37
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.05
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one?

The IUPAC name of 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one (CID 159761490) is 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one.

What is the SMILES notation for 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one?

The canonical SMILES for 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one is CCCCn1cc2c(n1)c(N)nc1ccc(N3CCN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)=O)CC3)cc12.

What is the InChIKey of 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one?

The InChIKey is MZRMUAUKYBYKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H70N6O11/c1-3-4-8-48-35-39-38-34-37(5-6-40(38)44-42(43)41(39)45-48)47-11-9-46(10-12-47)13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-33-32-58-30-28-56-26-24-54-22-20-52-18-16-50-14-7-36(2)49/h5-6,34-35H,3-4,7-33H2,1-2H3,(H2,43,44).

What are the key properties of 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one?

4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one has a molecular weight of 835.05 g/mol, XLogP of 3.23, 37 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(4-amino-2-butylpyrazolo[3,4-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one is sourced from PubChem (CID 159761490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).