About (4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone
(4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone (PubChem CID 169292368) has the molecular formula C34H40ClNO4Si
and a molecular weight of 590.24 g/mol. Its IUPAC name is (4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone.
Molecular Properties
| Compound Name | (4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone |
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| PubChem CID | 169292368 |
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| Molecular Formula | C34H40ClNO4Si |
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| Molecular Weight | 590.24 g/mol |
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| Exact Mass | 589.24 |
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| IUPAC Name | (4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone |
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| SMILES | COc1cc(-c2cccc(CCO[Si](C(C)C)(C(C)C)C(C)C)c2)c2cc(C(=O)c3ccc(Cl)c(O)c3)ccc2n1 |
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| InChI | InChI=1S/C34H40ClNO4Si/c1-21(2)41(22(3)4,23(5)6)40-16-15-24-9-8-10-25(17-24)28-20-33(39-7)36-31-14-12-26(18-29(28)31)34(38)27-11-13-30(35)32(37)19-27/h8-14,17-23,37H,15-16H2,1-7H3 |
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| InChIKey | CAVOFKWIUHJCIS-UHFFFAOYSA-N |
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| XLogP | 9.23 |
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| TPSA | 68.65 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 590.24 |
| LogP ≤ 5 | 9.23 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone?
The IUPAC name of (4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone (CID 169292368) is (4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone.
What is the SMILES notation for (4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone?
The canonical SMILES for (4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone is COc1cc(-c2cccc(CCO[Si](C(C)C)(C(C)C)C(C)C)c2)c2cc(C(=O)c3ccc(Cl)c(O)c3)ccc2n1.
What is the InChIKey of (4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone?
The InChIKey is CAVOFKWIUHJCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40ClNO4Si/c1-21(2)41(22(3)4,23(5)6)40-16-15-24-9-8-10-25(17-24)28-20-33(39-7)36-31-14-12-26(18-29(28)31)34(38)27-11-13-30(35)32(37)19-27/h8-14,17-23,37H,15-16H2,1-7H3.
What are the key properties of (4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone?
(4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone has a molecular weight of 590.24 g/mol, XLogP of 9.23, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-hydroxyphenyl)-[2-methoxy-4-[3-[2-tri(propan-2-yl)silyloxyethyl]phenyl]quinolin-6-yl]methanone is sourced from PubChem (CID 169292368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).