About 7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline (PubChem CID 141384488) has the molecular formula C36H46Cl2N8
and a molecular weight of 661.73 g/mol. Its IUPAC name is 7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline.
Molecular Properties
| Compound Name | 7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline |
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| PubChem CID | 141384488 |
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| Molecular Formula | C36H46Cl2N8 |
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| Molecular Weight | 661.73 g/mol |
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| Exact Mass | 660.32 |
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| IUPAC Name | 7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline |
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| SMILES | Clc1ccc2c(N3CCN(CCCN4CCN(CCCN5CCN(c6ccnc7cc(Cl)ccc67)CC5)CC4)CC3)ccnc2c1 |
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| InChI | InChI=1S/C36H46Cl2N8/c37-29-3-5-31-33(27-29)39-9-7-35(31)45-23-19-43(20-24-45)13-1-11-41-15-17-42(18-16-41)12-2-14-44-21-25-46(26-22-44)36-8-10-40-34-28-30(38)4-6-32(34)36/h3-10,27-28H,1-2,11-26H2 |
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| InChIKey | FOMVJBVEKHCGDV-UHFFFAOYSA-N |
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| XLogP | 5.43 |
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| TPSA | 45.22 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 661.73 |
| LogP ≤ 5 | 5.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline with MolForge
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Frequently Asked Questions
What is the IUPAC name of 7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline (CID 141384488) is 7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline is Clc1ccc2c(N3CCN(CCCN4CCN(CCCN5CCN(c6ccnc7cc(Cl)ccc67)CC5)CC4)CC3)ccnc2c1.
What is the InChIKey of 7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline?
The InChIKey is FOMVJBVEKHCGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46Cl2N8/c37-29-3-5-31-33(27-29)39-9-7-35(31)45-23-19-43(20-24-45)13-1-11-41-15-17-42(18-16-41)12-2-14-44-21-25-46(26-22-44)36-8-10-40-34-28-30(38)4-6-32(34)36/h3-10,27-28H,1-2,11-26H2.
What are the key properties of 7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline?
7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline has a molecular weight of 661.73 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 141384488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).