About [5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol
[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol (PubChem CID 59484341) has the molecular formula C24H20ClN5O2S
and a molecular weight of 477.98 g/mol. Its IUPAC name is [5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol.
Molecular Properties
| Compound Name | [5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol |
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| PubChem CID | 59484341 |
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| Molecular Formula | C24H20ClN5O2S |
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| Molecular Weight | 477.98 g/mol |
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| Exact Mass | 477.10 |
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| IUPAC Name | [5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol |
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| SMILES | Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3C(O)c3nccs3)c2n1 |
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| InChI | InChI=1S/C24H20ClN5O2S/c1-14-10-16(20-6-7-28-30(20)2)15-4-3-5-21(22(15)29-14)32-13-18-17(11-26-12-19(18)25)23(31)24-27-8-9-33-24/h3-12,23,31H,13H2,1-2H3 |
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| InChIKey | MUVLACSXVYCVJF-UHFFFAOYSA-N |
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| XLogP | 5.11 |
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| TPSA | 85.95 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 477.98 |
| LogP ≤ 5 | 5.11 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of [5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of [5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol (CID 59484341) is [5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for [5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol is Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3C(O)c3nccs3)c2n1.
What is the InChIKey of [5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is MUVLACSXVYCVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2S/c1-14-10-16(20-6-7-28-30(20)2)15-4-3-5-21(22(15)29-14)32-13-18-17(11-26-12-19(18)25)23(31)24-27-8-9-33-24/h3-12,23,31H,13H2,1-2H3.
What are the key properties of [5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol?
[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol has a molecular weight of 477.98 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 59484341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).