About (5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
(5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one (PubChem CID 71241995) has the molecular formula C31H32N2O5
and a molecular weight of 512.61 g/mol. Its IUPAC name is (5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one.
Molecular Properties
| Compound Name | (5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one |
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| PubChem CID | 71241995 |
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| Molecular Formula | C31H32N2O5 |
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| Molecular Weight | 512.61 g/mol |
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| Exact Mass | 512.23 |
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| IUPAC Name | (5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one |
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| SMILES | COc1cc(-c2cc(OC[C@H]3CN([C@H](C)c4ccccc4)C(=O)O3)c3cccnc3c2)ccc1OC(C)C |
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| InChI | InChI=1S/C31H32N2O5/c1-20(2)37-28-13-12-23(16-30(28)35-4)24-15-27-26(11-8-14-32-27)29(17-24)36-19-25-18-33(31(34)38-25)21(3)22-9-6-5-7-10-22/h5-17,20-21,25H,18-19H2,1-4H3/t21-,25-/m1/s1 |
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| InChIKey | GZENBGMMPMGXNY-PXDATVDWSA-N |
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| XLogP | 6.66 |
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| TPSA | 70.12 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 512.61 |
| LogP ≤ 5 | 6.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze (5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of (5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one (CID 71241995) is (5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one is COc1cc(-c2cc(OC[C@H]3CN([C@H](C)c4ccccc4)C(=O)O3)c3cccnc3c2)ccc1OC(C)C.
What is the InChIKey of (5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
The InChIKey is GZENBGMMPMGXNY-PXDATVDWSA-N. The full InChI is InChI=1S/C31H32N2O5/c1-20(2)37-28-13-12-23(16-30(28)35-4)24-15-27-26(11-8-14-32-27)29(17-24)36-19-25-18-33(31(34)38-25)21(3)22-9-6-5-7-10-22/h5-17,20-21,25H,18-19H2,1-4H3/t21-,25-/m1/s1.
What are the key properties of (5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one?
(5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one has a molecular weight of 512.61 g/mol, XLogP of 6.66, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71241995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).