(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

C66H67F2N9O8 — CID 161362985

IUPAC(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
SMILESC.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1O.C[C@@H](Oc1cc(-c2ccc3c(c2)N=CC3)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C(C)(F)F)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H21N3O2.C22H22N2O4.C20H20F2N4O2.CH4/c1-14(18-12-23(27)26-13-18)28-22-11-17(10-21-19(22)3-2-7-24-21)16-5-4-15-6-8-25-20(15)9-16;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;1-12(14-8-19(27)24-9-14)28-18-7-13(6-17-16(18)4-3-5-23-17)15-10-25-26(11-15)20(2,21)22;/h2-5,7-11,14,18H,6,12-13H2,1H3,(H,26,27);3-10,13,16,25H,11-12H2,1-2H3,(H,24,26);3-7,10-12,14H,8-9H2,1-2H3,(H,24,27);1H4/t14-,18-;13-,16-;12-,14-;/m111./s1
InChIKeyVPKXMDHJPATPNJ-JQDZHVNXSA-N
MW1152.31 g/mol
LogP11.79
Rot. Bonds14

About (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

(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 (PubChem CID 161362985) has the molecular formula C66H67F2N9O8 and a molecular weight of 1152.31 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID161362985
Molecular FormulaC66H67F2N9O8
Molecular Weight1152.31 g/mol
Exact Mass1151.51
IUPAC Name(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
SMILESC.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1O.C[C@@H](Oc1cc(-c2ccc3c(c2)N=CC3)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C(C)(F)F)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H21N3O2.C22H22N2O4.C20H20F2N4O2.CH4/c1-14(18-12-23(27)26-13-18)28-22-11-17(10-21-19(22)3-2-7-24-21)16-5-4-15-6-8-25-20(15)9-16;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;1-12(14-8-19(27)24-9-14)28-18-7-13(6-17-16(18)4-3-5-23-17)15-10-25-26(11-15)20(2,21)22;/h2-5,7-11,14,18H,6,12-13H2,1H3,(H,26,27);3-10,13,16,25H,11-12H2,1-2H3,(H,24,26);3-7,10-12,14H,8-9H2,1-2H3,(H,24,27);1H4/t14-,18-;13-,16-;12-,14-;/m111./s1
InChIKeyVPKXMDHJPATPNJ-JQDZHVNXSA-N
XLogP11.79
TPSA213.30 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001152.31
LogP ≤ 511.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze (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 with MolForge

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Related Compounds

N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one
CID 157476189
(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-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158069813
(4R)-4-[(1R)-1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 160236526
(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-(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
(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 161919136
(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
CID 157408498
(4R)-4-[(1R)-1-[7-(6-ethoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide;(4R)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-propan-2-yloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157678215
(4R)-4-[(1S)-1-hydroxyethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-phenylethyl]-4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;7-phenylquinolin-5-ol;(4R)-4-[(1R)-1-(7-phenylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 158087963
(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
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1O.C[C@@H](Oc1cc(-c2ccc3c(c2)N=CC3)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C(C)(F)F)c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (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?
The InChIKey is VPKXMDHJPATPNJ-JQDZHVNXSA-N. The full InChI is InChI=1S/C23H21N3O2.C22H22N2O4.C20H20F2N4O2.CH4/c1-14(18-12-23(27)26-13-18)28-22-11-17(10-21-19(22)3-2-7-24-21)16-5-4-15-6-8-25-20(15)9-16;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;1-12(14-8-19(27)24-9-14)28-18-7-13(6-17-16(18)4-3-5-23-17)15-10-25-26(11-15)20(2,21)22;/h2-5,7-11,14,18H,6,12-13H2,1H3,(H,26,27);3-10,13,16,25H,11-12H2,1-2H3,(H,24,26);3-7,10-12,14H,8-9H2,1-2H3,(H,24,27);1H4/t14-,18-;13-,16-;12-,14-;/m111./s1.
What are the key properties of (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?
(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 has a molecular weight of 1152.31 g/mol, XLogP of 11.79, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 161362985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).