(4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one

C85H80F2N8O17 — CID 158613087

About (4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one

(4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 158613087) has the molecular formula C85H80F2N8O17 and a molecular weight of 1523.61 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
• PubChem CID: 158613087
• Molecular Formula: C85H80F2N8O17
• Molecular Weight: 1523.61 g/mol
• Exact Mass: 1522.56
• IUPAC Name: (4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
• SMILES: COc1c(F)cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1F.COc1cc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)ccc1O.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1O.COc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cc1OC
• InChI: InChI=1S/C22H20F2N2O3.C22H22N2O4.C21H20N2O5.C20H18N2O5/c1-12(15-10-21(27)26-11-15)29-20-9-14(8-19-16(20)4-3-5-25-19)13-6-17(23)22(28-2)18(24)7-13;1-13(16-11-22(26)24-12-16)28-20-10-15(8-18-17(20)4-3-7-23-18)14-5-6-19(25)21(9-14)27-2;1-25-18-6-5-13(9-20(18)26-2)14-8-17-16(4-3-7-22-17)19(10-14)27-12-15-11-23-21(24)28-15;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/h3-9,12,15H,10-11H2,1-2H3,(H,26,27);3-10,13,16,25H,11-12H2,1-2H3,(H,24,26);3-10,15H,11-12H2,1-2H3,(H,23,24);2-9,14,23H,10-11H2,1H3,(H,22,24)/t12-,15-;13-,16-;15-;14-/m1111/s1
• InChIKey: HXBNYKLWYHRGAU-HSJQBEBKSA-N
• XLogP: 14.12
• TPSA: 309.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1523.61
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (CID 158613087) is (4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is COc1c(F)cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1F.COc1cc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)ccc1O.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1O.COc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cc1OC.

What is the InChIKey of (4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?

The InChIKey is HXBNYKLWYHRGAU-HSJQBEBKSA-N. The full InChI is InChI=1S/C22H20F2N2O3.C22H22N2O4.C21H20N2O5.C20H18N2O5/c1-12(15-10-21(27)26-11-15)29-20-9-14(8-19-16(20)4-3-5-25-19)13-6-17(23)22(28-2)18(24)7-13;1-13(16-11-22(26)24-12-16)28-20-10-15(8-18-17(20)4-3-7-23-18)14-5-6-19(25)21(9-14)27-2;1-25-18-6-5-13(9-20(18)26-2)14-8-17-16(4-3-7-22-17)19(10-14)27-12-15-11-23-21(24)28-15;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/h3-9,12,15H,10-11H2,1-2H3,(H,26,27);3-10,13,16,25H,11-12H2,1-2H3,(H,24,26);3-10,15H,11-12H2,1-2H3,(H,23,24);2-9,14,23H,10-11H2,1H3,(H,22,24)/t12-,15-;13-,16-;15-;14-/m1111/s1.

What are the key properties of (4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?

(4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 1523.61 g/mol, XLogP of 14.12, 21 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(1R)-1-[7-(3,5-difluoro-4-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(5R)-5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 158613087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).