(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one

C82H84N6O16 — CID 157380031

About (5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(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-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one (PubChem CID 157380031) has the molecular formula C82H84N6O16 and a molecular weight of 1409.60 g/mol. Its IUPAC name is (5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(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-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
• PubChem CID: 157380031
• Molecular Formula: C82H84N6O16
• Molecular Weight: 1409.60 g/mol
• Exact Mass: 1408.59
• IUPAC Name: (5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
• SMILES: COc1cc(-c2cc(O)c3cccnc3c2)ccc1OC(C)C.COc1cc(-c2cc(OC[C@H]3CN([C@H](C)c4ccccc4)C(=O)O3)c3cccnc3c2)ccc1OC(C)C.COc1cc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)ccc1O.C[C@H](c1ccccc1)N1C[C@H](CO)OC1=O
• InChI: InChI=1S/C31H32N2O5.C20H18N2O5.C19H19NO3.C12H15NO3/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;1-25-19-8-12(4-5-17(19)23)13-7-16-15(3-2-6-21-16)18(9-13)26-11-14-10-22-20(24)27-14;1-12(2)23-18-7-6-13(11-19(18)22-3)14-9-16-15(17(21)10-14)5-4-8-20-16;1-9(10-5-3-2-4-6-10)13-7-11(8-14)16-12(13)15/h5-17,20-21,25H,18-19H2,1-4H3;2-9,14,23H,10-11H2,1H3,(H,22,24);4-12,21H,1-3H3;2-6,9,11,14H,7-8H2,1H3/t21-,25-;14-;;9-,11-/m11.1/s1
• InChIKey: BKTRHTDNSRECTO-IULAJJSPSA-N
• XLogP: 15.73
• TPSA: 261.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1409.60
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(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-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(5R)-5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one (CID 157380031) is (5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(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-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(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-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(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(O)c3cccnc3c2)ccc1OC(C)C.COc1cc(-c2cc(OC[C@H]3CN([C@H](C)c4ccccc4)C(=O)O3)c3cccnc3c2)ccc1OC(C)C.COc1cc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)ccc1O.C[C@H](c1ccccc1)N1C[C@H](CO)OC1=O.

What is the InChIKey of (5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(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 BKTRHTDNSRECTO-IULAJJSPSA-N. The full InChI is InChI=1S/C31H32N2O5.C20H18N2O5.C19H19NO3.C12H15NO3/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;1-25-19-8-12(4-5-17(19)23)13-7-16-15(3-2-6-21-16)18(9-13)26-11-14-10-22-20(24)27-14;1-12(2)23-18-7-6-13(11-19(18)22-3)14-9-16-15(17(21)10-14)5-4-8-20-16;1-9(10-5-3-2-4-6-10)13-7-11(8-14)16-12(13)15/h5-17,20-21,25H,18-19H2,1-4H3;2-9,14,23H,10-11H2,1H3,(H,22,24);4-12,21H,1-3H3;2-6,9,11,14H,7-8H2,1H3/t21-,25-;14-;;9-,11-/m11.1/s1.

What are the key properties of (5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(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-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(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 1409.60 g/mol, XLogP of 15.73, 21 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(5R)-5-(hydroxymethyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one;7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-ol;(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 157380031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).