6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one

C64H60N10O6 — CID 154950743

About 6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one

6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 154950743) has the molecular formula C64H60N10O6 and a molecular weight of 1065.25 g/mol. Its IUPAC name is 6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 154950743
• Molecular Formula: C64H60N10O6
• Molecular Weight: 1065.25 g/mol
• Exact Mass: 1064.47
• IUPAC Name: 6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: C#CCN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(Cc6cc(-c7ccc8nc(-c9cn(C)c(=O)c%10[nH]ccc9%10)ccc8c7)ccc6OCCN6CCN(C)C(=O)C6(C)C)c(=O)c6[nH]ccc56)ccc4n3)cc2)CC1=O
• InChI: InChI=1S/C64H60N10O6/c1-6-25-72-28-27-71(40-58(72)75)30-32-79-48-14-7-41(8-15-48)53-18-11-46-36-44(10-17-54(46)67-53)51-39-73(62(77)60-49(51)21-23-66-60)37-47-35-43(13-20-57(47)80-33-31-74-29-26-69(4)63(78)64(74,2)3)42-9-16-55-45(34-42)12-19-56(68-55)52-38-70(5)61(76)59-50(52)22-24-65-59/h1,7-24,34-36,38-39,65-66H,25-33,37,40H2,2-5H3
• InChIKey: SHJDLXRUAPWOFG-UHFFFAOYSA-N
• XLogP: 8.41
• TPSA: 166.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1065.25
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 154950743) is 6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one is C#CCN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(Cc6cc(-c7ccc8nc(-c9cn(C)c(=O)c%10[nH]ccc9%10)ccc8c7)ccc6OCCN6CCN(C)C(=O)C6(C)C)c(=O)c6[nH]ccc56)ccc4n3)cc2)CC1=O.

What is the InChIKey of 6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is SHJDLXRUAPWOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H60N10O6/c1-6-25-72-28-27-71(40-58(72)75)30-32-79-48-14-7-41(8-15-48)53-18-11-46-36-44(10-17-54(46)67-53)51-39-73(62(77)60-49(51)21-23-66-60)37-47-35-43(13-20-57(47)80-33-31-74-29-26-69(4)63(78)64(74,2)3)42-9-16-55-45(34-42)12-19-56(68-55)52-38-70(5)61(76)59-50(52)22-24-65-59/h1,7-24,34-36,38-39,65-66H,25-33,37,40H2,2-5H3.

What are the key properties of 6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one?

6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 1065.25 g/mol, XLogP of 8.41, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-4-[6-[3-[[7-oxo-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-(2,2,4-trimethyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 154950743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).