(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one

C78H79N9O9 — CID 160795940

IUPAC(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2C[C@H]([C@@H](C)Oc3cc(-c4ccccn4)cc4ncccc34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@H](C)O)CC2=O)cc1.C[C@@H](Oc1cc(-c2ccccn2)cc2ncccc12)[C@H]1CNC(=O)C1.Oc1cc(-c2ccccn2)cc2ncccc12
InChIInChI=1S/C29H29N3O3.C20H19N3O2.C15H21NO3.C14H10N2O/c1-19(21-9-11-24(34-3)12-10-21)32-18-23(17-29(32)33)20(2)35-28-16-22(26-8-4-5-13-30-26)15-27-25(28)7-6-14-31-27;1-13(15-11-20(24)23-12-15)25-19-10-14(17-6-2-3-7-21-17)9-18-16(19)5-4-8-22-18;1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18;17-14-9-10(12-5-1-2-6-15-12)8-13-11(14)4-3-7-16-13/h4-16,19-20,23H,17-18H2,1-3H3;2-10,13,15H,11-12H2,1H3,(H,23,24);4-7,10-11,13,17H,8-9H2,1-3H3;1-9,17H/t19?,20-,23-;13-,15-;10-,11-,13+;/m110./s1
InChIKeySCLGNCIBCLJJCG-LSUZUMGFSA-N
MW1286.54 g/mol
LogP13.87
Rot. Bonds16

About (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one

(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 160795940) has the molecular formula C78H79N9O9 and a molecular weight of 1286.54 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
PubChem CID160795940
Molecular FormulaC78H79N9O9
Molecular Weight1286.54 g/mol
Exact Mass1285.60
IUPAC Name(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2C[C@H]([C@@H](C)Oc3cc(-c4ccccn4)cc4ncccc34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@H](C)O)CC2=O)cc1.C[C@@H](Oc1cc(-c2ccccn2)cc2ncccc12)[C@H]1CNC(=O)C1.Oc1cc(-c2ccccn2)cc2ncccc12
InChIInChI=1S/C29H29N3O3.C20H19N3O2.C15H21NO3.C14H10N2O/c1-19(21-9-11-24(34-3)12-10-21)32-18-23(17-29(32)33)20(2)35-28-16-22(26-8-4-5-13-30-26)15-27-25(28)7-6-14-31-27;1-13(15-11-20(24)23-12-15)25-19-10-14(17-6-2-3-7-21-17)9-18-16(19)5-4-8-22-18;1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18;17-14-9-10(12-5-1-2-6-15-12)8-13-11(14)4-3-7-16-13/h4-16,19-20,23H,17-18H2,1-3H3;2-10,13,15H,11-12H2,1H3,(H,23,24);4-7,10-11,13,17H,8-9H2,1-3H3;1-9,17H/t19?,20-,23-;13-,15-;10-,11-,13+;/m110./s1
InChIKeySCLGNCIBCLJJCG-LSUZUMGFSA-N
XLogP13.87
TPSA224.44 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001286.54
LogP ≤ 513.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[(1R)-1-[7-(6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71237900
(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 71241906
1-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]piperidin-2-one
CID 71241953
(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241975
(R)-4-((R)-1-(7-(pyridin-2-yl)quinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71238245
(4R)-4-[(1R)-1-[7-(2-methoxy-4-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241951
(4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241970
(4R)-4-[(1R)-1-[7-[5-(1,1-difluoroethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(1,1-difluoroethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(1-fluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(1-fluoroethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157486031
(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[3-methoxy-4-(trifluoromethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158687562
(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
(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5,6-dimethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[3-methoxy-4-(trifluoromethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 161436358

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one (CID 160795940) is (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one is COc1ccc(C(C)N2C[C@H]([C@@H](C)Oc3cc(-c4ccccn4)cc4ncccc34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@H](C)O)CC2=O)cc1.C[C@@H](Oc1cc(-c2ccccn2)cc2ncccc12)[C@H]1CNC(=O)C1.Oc1cc(-c2ccccn2)cc2ncccc12.
What is the InChIKey of (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is SCLGNCIBCLJJCG-LSUZUMGFSA-N. The full InChI is InChI=1S/C29H29N3O3.C20H19N3O2.C15H21NO3.C14H10N2O/c1-19(21-9-11-24(34-3)12-10-21)32-18-23(17-29(32)33)20(2)35-28-16-22(26-8-4-5-13-30-26)15-27-25(28)7-6-14-31-27;1-13(15-11-20(24)23-12-15)25-19-10-14(17-6-2-3-7-21-17)9-18-16(19)5-4-8-22-18;1-10(12-4-6-14(19-3)7-5-12)16-9-13(11(2)17)8-15(16)18;17-14-9-10(12-5-1-2-6-15-12)8-13-11(14)4-3-7-16-13/h4-16,19-20,23H,17-18H2,1-3H3;2-10,13,15H,11-12H2,1H3,(H,23,24);4-7,10-11,13,17H,8-9H2,1-3H3;1-9,17H/t19?,20-,23-;13-,15-;10-,11-,13+;/m110./s1.
What are the key properties of (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 1286.54 g/mol, XLogP of 13.87, 16 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-hydroxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-pyridin-2-ylquinolin-5-ol;(4R)-4-[(1R)-1-(7-pyridin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 160795940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).