About calcium bis(5-chloro-8H-quinolin-8-ide)
calcium bis(5-chloro-8H-quinolin-8-ide) (PubChem CID 87786487) has the molecular formula C18H10CaCl2N2
and a molecular weight of 365.28 g/mol. Its IUPAC name is calcium bis(5-chloro-8H-quinolin-8-ide).
Molecular Properties
| Compound Name | calcium bis(5-chloro-8H-quinolin-8-ide) |
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| PubChem CID | 87786487 |
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| Molecular Formula | C18H10CaCl2N2 |
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| Molecular Weight | 365.28 g/mol |
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| Exact Mass | 363.98 |
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| IUPAC Name | calcium bis(5-chloro-8H-quinolin-8-ide) |
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| SMILES | Clc1cc[c-]c2ncccc12.Clc1cc[c-]c2ncccc12.[Ca+2] |
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| InChI | InChI=1S/2C9H5ClN.Ca/c2*10-8-4-1-5-9-7(8)3-2-6-11-9;/h2*1-4,6H;/q2*-1;+2 |
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| InChIKey | AETNUBDCRNOWBU-UHFFFAOYSA-N |
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| XLogP | 5.00 |
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| TPSA | 25.78 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 23 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 365.28 |
| LogP ≤ 5 | 5.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of calcium bis(5-chloro-8H-quinolin-8-ide)?
The IUPAC name of calcium bis(5-chloro-8H-quinolin-8-ide) (CID 87786487) is calcium bis(5-chloro-8H-quinolin-8-ide).
What is the SMILES notation for calcium bis(5-chloro-8H-quinolin-8-ide)?
The canonical SMILES for calcium bis(5-chloro-8H-quinolin-8-ide) is Clc1cc[c-]c2ncccc12.Clc1cc[c-]c2ncccc12.[Ca+2].
What is the InChIKey of calcium bis(5-chloro-8H-quinolin-8-ide)?
The InChIKey is AETNUBDCRNOWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H5ClN.Ca/c2*10-8-4-1-5-9-7(8)3-2-6-11-9;/h2*1-4,6H;/q2*-1;+2.
What are the key properties of calcium bis(5-chloro-8H-quinolin-8-ide)?
calcium bis(5-chloro-8H-quinolin-8-ide) has a molecular weight of 365.28 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium bis(5-chloro-8H-quinolin-8-ide) is sourced from PubChem (CID 87786487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).