(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C88H96N6O16 — CID 158861202

IUPAC(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(O)c3cccnc3c2)cc(OC)c1OC.COc1cc(-c2cc(O[C@H](C)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)c3cccnc3c2)cc(OC)c1OC.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC.C[C@H](O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C32H34N2O5.C24H26N2O5.C18H17NO4.C14H19NO2/c1-20(22-10-7-6-8-11-22)34-19-25(18-31(34)35)21(2)39-28-15-23(14-27-26(28)12-9-13-33-27)24-16-29(36-3)32(38-5)30(17-24)37-4;1-14(17-12-23(27)26-13-17)31-20-9-15(8-19-18(20)6-5-7-25-19)16-10-21(28-2)24(30-4)22(11-16)29-3;1-21-16-9-12(10-17(22-2)18(16)23-3)11-7-14-13(15(20)8-11)5-4-6-19-14;1-10(12-6-4-3-5-7-12)15-9-13(11(2)16)8-14(15)17/h6-17,20-21,25H,18-19H2,1-5H3;5-11,14,17H,12-13H2,1-4H3,(H,26,27);4-10,20H,1-3H3;3-7,10-11,13,16H,8-9H2,1-2H3/t20-,21-,25-;14-,17-;;10-,11+,13-/m11.1/s1
InChIKeyJARHAZUWUALIQH-MQCAOOIRSA-N
MW1493.76 g/mol
LogP15.75
Rot. Bonds23

About (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 158861202) has the molecular formula C88H96N6O16 and a molecular weight of 1493.76 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID158861202
Molecular FormulaC88H96N6O16
Molecular Weight1493.76 g/mol
Exact Mass1492.69
IUPAC Name(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(O)c3cccnc3c2)cc(OC)c1OC.COc1cc(-c2cc(O[C@H](C)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)c3cccnc3c2)cc(OC)c1OC.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC.C[C@H](O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1
InChIInChI=1S/C32H34N2O5.C24H26N2O5.C18H17NO4.C14H19NO2/c1-20(22-10-7-6-8-11-22)34-19-25(18-31(34)35)21(2)39-28-15-23(14-27-26(28)12-9-13-33-27)24-16-29(36-3)32(38-5)30(17-24)37-4;1-14(17-12-23(27)26-13-17)31-20-9-15(8-19-18(20)6-5-7-25-19)16-10-21(28-2)24(30-4)22(11-16)29-3;1-21-16-9-12(10-17(22-2)18(16)23-3)11-7-14-13(15(20)8-11)5-4-6-19-14;1-10(12-6-4-3-5-7-12)15-9-13(11(2)16)8-14(15)17/h6-17,20-21,25H,18-19H2,1-5H3;5-11,14,17H,12-13H2,1-4H3,(H,26,27);4-10,20H,1-3H3;3-7,10-11,13,16H,8-9H2,1-2H3/t20-,21-,25-;14-,17-;;10-,11+,13-/m11.1/s1
InChIKeyJARHAZUWUALIQH-MQCAOOIRSA-N
XLogP15.75
TPSA250.38 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001493.76
LogP ≤ 515.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Related Compounds

(R)-4-((R)-1-(7-(3,4,5-trimethoxyphenyl)quinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71238463
(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 136617776
(4R)-4-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
CID 71241931
(4R)-4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
CID 136263962
(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(3H-indol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 160990753
(4R)-4-[(1R)-1-[7-[1-(1,1-difluoroethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(3H-indol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane
CID 161362985
2-[[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 10190630
4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71238465
(4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71240317
5-[[7-(3,4,5-Trimethoxyphenyl)quinolin-5-yl]oxymethyl]piperidin-2-one
CID 71241928
(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241993
(4R)-1-(1-phenylethyl)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71244622

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 158861202) is (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc(O)c3cccnc3c2)cc(OC)c1OC.COc1cc(-c2cc(O[C@H](C)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)c3cccnc3c2)cc(OC)c1OC.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC.C[C@H](O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1.
What is the InChIKey of (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is JARHAZUWUALIQH-MQCAOOIRSA-N. The full InChI is InChI=1S/C32H34N2O5.C24H26N2O5.C18H17NO4.C14H19NO2/c1-20(22-10-7-6-8-11-22)34-19-25(18-31(34)35)21(2)39-28-15-23(14-27-26(28)12-9-13-33-27)24-16-29(36-3)32(38-5)30(17-24)37-4;1-14(17-12-23(27)26-13-17)31-20-9-15(8-19-18(20)6-5-7-25-19)16-10-21(28-2)24(30-4)22(11-16)29-3;1-21-16-9-12(10-17(22-2)18(16)23-3)11-7-14-13(15(20)8-11)5-4-6-19-14;1-10(12-6-4-3-5-7-12)15-9-13(11(2)16)8-14(15)17/h6-17,20-21,25H,18-19H2,1-5H3;5-11,14,17H,12-13H2,1-4H3,(H,26,27);4-10,20H,1-3H3;3-7,10-11,13,16H,8-9H2,1-2H3/t20-,21-,25-;14-,17-;;10-,11+,13-/m11.1/s1.
What are the key properties of (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 1493.76 g/mol, XLogP of 15.75, 23 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;7-(3,4,5-trimethoxyphenyl)quinolin-5-ol;(4R)-4-[(1R)-1-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 158861202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).