(4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C112H114ClF3N16O13 — CID 158550572

IUPAC(4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)nc1.C[C@@H](Oc1cc(-c2ccc(C3(N)CC3)c(Cl)c2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc(OC(C)(C)C)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc(OC3CCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C(F)(F)F)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H24ClN3O2.C24H25N3O3.C24H27N3O3.C21H21N3O3.C19H17F3N4O2/c1-14(17-12-23(29)28-13-17)30-22-11-16(10-21-18(22)3-2-8-27-21)15-4-5-19(20(25)9-15)24(26)6-7-24;1-15(18-12-23(28)26-14-18)29-22-11-17(10-21-20(22)6-3-9-25-21)16-7-8-24(27-13-16)30-19-4-2-5-19;1-15(18-12-22(28)26-14-18)29-21-11-17(10-20-19(21)6-5-9-25-20)16-7-8-23(27-13-16)30-24(2,3)4;1-13(15-10-21(25)24-11-15)27-20-9-14(8-19-17(20)4-3-7-22-19)18-6-5-16(26-2)12-23-18;1-11(13-7-18(27)24-8-13)28-17-6-12(5-16-15(17)3-2-4-23-16)14-9-25-26(10-14)19(20,21)22/h2-5,8-11,14,17H,6-7,12-13,26H2,1H3,(H,28,29);3,6-11,13,15,18-19H,2,4-5,12,14H2,1H3,(H,26,28);5-11,13,15,18H,12,14H2,1-4H3,(H,26,28);3-9,12-13,15H,10-11H2,1-2H3,(H,24,25);2-6,9-11,13H,7-8H2,1H3,(H,24,27)/t14-,17-;2*15-,18-;13-,15-;11-,13-/m11111/s1
InChIKeyHPQYIEWZOCUWAM-GUCVKFGQSA-N
MW1984.69 g/mol
LogP19.60
Rot. Bonds25

About (4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 158550572) has the molecular formula C112H114ClF3N16O13 and a molecular weight of 1984.69 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID158550572
Molecular FormulaC112H114ClF3N16O13
Molecular Weight1984.69 g/mol
Exact Mass1982.84
IUPAC Name(4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)nc1.C[C@@H](Oc1cc(-c2ccc(C3(N)CC3)c(Cl)c2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc(OC(C)(C)C)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc(OC3CCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C(F)(F)F)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H24ClN3O2.C24H25N3O3.C24H27N3O3.C21H21N3O3.C19H17F3N4O2/c1-14(17-12-23(29)28-13-17)30-22-11-16(10-21-18(22)3-2-8-27-21)15-4-5-19(20(25)9-15)24(26)6-7-24;1-15(18-12-23(28)26-14-18)29-22-11-17(10-21-20(22)6-3-9-25-21)16-7-8-24(27-13-16)30-19-4-2-5-19;1-15(18-12-22(28)26-14-18)29-21-11-17(10-20-19(21)6-5-9-25-20)16-7-8-23(27-13-16)30-24(2,3)4;1-13(15-10-21(25)24-11-15)27-20-9-14(8-19-17(20)4-3-7-22-19)18-6-5-16(26-2)12-23-18;1-11(13-7-18(27)24-8-13)28-17-6-12(5-16-15(17)3-2-4-23-16)14-9-25-26(10-14)19(20,21)22/h2-5,8-11,14,17H,6-7,12-13,26H2,1H3,(H,28,29);3,6-11,13,15,18-19H,2,4-5,12,14H2,1H3,(H,26,28);5-11,13,15,18H,12,14H2,1-4H3,(H,26,28);3-9,12-13,15H,10-11H2,1-2H3,(H,24,25);2-6,9-11,13H,7-8H2,1H3,(H,24,27)/t14-,17-;2*15-,18-;13-,15-;11-,13-/m11111/s1
InChIKeyHPQYIEWZOCUWAM-GUCVKFGQSA-N
XLogP19.60
TPSA366.30 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001984.69
LogP ≤ 519.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze (4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(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
(1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-methyl-1-quinolin-4-yloxypropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 157864826
(4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157951103
(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-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159026240
(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
(1R,5S)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-(2-methylpyrazol-3-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[4-(trifluoromethyl)pyridazin-3-yl]oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 161052157
(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
CID 157853018
CID 157853018
(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
CID 159032055

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 158550572) is (4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is COc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)nc1.C[C@@H](Oc1cc(-c2ccc(C3(N)CC3)c(Cl)c2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc(OC(C)(C)C)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc(OC3CCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C(F)(F)F)c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is HPQYIEWZOCUWAM-GUCVKFGQSA-N. The full InChI is InChI=1S/C24H24ClN3O2.C24H25N3O3.C24H27N3O3.C21H21N3O3.C19H17F3N4O2/c1-14(17-12-23(29)28-13-17)30-22-11-16(10-21-18(22)3-2-8-27-21)15-4-5-19(20(25)9-15)24(26)6-7-24;1-15(18-12-23(28)26-14-18)29-22-11-17(10-21-20(22)6-3-9-25-21)16-7-8-24(27-13-16)30-19-4-2-5-19;1-15(18-12-22(28)26-14-18)29-21-11-17(10-20-19(21)6-5-9-25-20)16-7-8-23(27-13-16)30-24(2,3)4;1-13(15-10-21(25)24-11-15)27-20-9-14(8-19-17(20)4-3-7-22-19)18-6-5-16(26-2)12-23-18;1-11(13-7-18(27)24-8-13)28-17-6-12(5-16-15(17)3-2-4-23-16)14-9-25-26(10-14)19(20,21)22/h2-5,8-11,14,17H,6-7,12-13,26H2,1H3,(H,28,29);3,6-11,13,15,18-19H,2,4-5,12,14H2,1H3,(H,26,28);5-11,13,15,18H,12,14H2,1-4H3,(H,26,28);3-9,12-13,15H,10-11H2,1-2H3,(H,24,25);2-6,9-11,13H,7-8H2,1H3,(H,24,27)/t14-,17-;2*15-,18-;13-,15-;11-,13-/m11111/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 1984.69 g/mol, XLogP of 19.60, 25 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-cyclobutyloxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(5-methoxy-2-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 158550572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).