potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide

C113H118BClKN15O16S2 — CID 163449131

IUPACpotassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide
SMILESC[C@@H]1C(=O)N(C)CCN1CCOc1ccc(-c2ccc3cc(-c4cn(C)c(=O)c5[nH]ccc45)ccc3n2)cc1.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(-c2ccc3cc(Cl)ccc3n2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(-c6ccc(OCCN7CCN(C)C(=O)[C@H]7C)cc6)ccc5c4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.[K+].[OH-]
InChIInChI=1S/C38H37N5O5S.C31H31N5O3.C23H24ClN3O2.C21H25BN2O5S.K.H2O/c1-25-5-13-31(14-6-25)49(46,47)43-18-17-32-33(24-41(4)38(45)36(32)43)28-9-15-35-29(23-28)10-16-34(39-35)27-7-11-30(12-8-27)48-22-21-42-20-19-40(3)37(44)26(42)2;1-20-30(37)34(2)14-15-36(20)16-17-39-24-8-4-21(5-9-24)27-11-7-23-18-22(6-10-28(23)33-27)26-19-35(3)31(38)29-25(26)12-13-32-29;1-16-23(28)26(2)11-12-27(16)13-14-29-20-7-3-17(4-8-20)21-9-5-18-15-19(24)6-10-22(18)25-21;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;;/h5-18,23-24,26H,19-22H2,1-4H3;4-13,18-20,32H,14-17H2,1-3H3;3-10,15-16H,11-14H2,1-2H3;7-13H,1-6H3;;1H2/q;;;;+1;/p-1/t26-;20-;16-;;;/m111.../s1
InChIKeyBFCCNFLLCSPFQL-BPHNSLAXSA-M
MW2091.77 g/mol
LogP12.71
Rot. Bonds22

About potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide

potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide (PubChem CID 163449131) has the molecular formula C113H118BClKN15O16S2 and a molecular weight of 2091.77 g/mol. Its IUPAC name is potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide.

Molecular Properties

Compound Namepotassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide
PubChem CID163449131
Molecular FormulaC113H118BClKN15O16S2
Molecular Weight2091.77 g/mol
Exact Mass2089.77
IUPAC Namepotassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide
SMILESC[C@@H]1C(=O)N(C)CCN1CCOc1ccc(-c2ccc3cc(-c4cn(C)c(=O)c5[nH]ccc45)ccc3n2)cc1.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(-c2ccc3cc(Cl)ccc3n2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(-c6ccc(OCCN7CCN(C)C(=O)[C@H]7C)cc6)ccc5c4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.[K+].[OH-]
InChIInChI=1S/C38H37N5O5S.C31H31N5O3.C23H24ClN3O2.C21H25BN2O5S.K.H2O/c1-25-5-13-31(14-6-25)49(46,47)43-18-17-32-33(24-41(4)38(45)36(32)43)28-9-15-35-29(23-28)10-16-34(39-35)27-7-11-30(12-8-27)48-22-21-42-20-19-40(3)37(44)26(42)2;1-20-30(37)34(2)14-15-36(20)16-17-39-24-8-4-21(5-9-24)27-11-7-23-18-22(6-10-28(23)33-27)26-19-35(3)31(38)29-25(26)12-13-32-29;1-16-23(28)26(2)11-12-27(16)13-14-29-20-7-3-17(4-8-20)21-9-5-18-15-19(24)6-10-22(18)25-21;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;;/h5-18,23-24,26H,19-22H2,1-4H3;4-13,18-20,32H,14-17H2,1-3H3;3-10,15-16H,11-14H2,1-2H3;7-13H,1-6H3;;1H2/q;;;;+1;/p-1/t26-;20-;16-;;;/m111.../s1
InChIKeyBFCCNFLLCSPFQL-BPHNSLAXSA-M
XLogP12.71
TPSA345.40 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002091.77
LogP ≤ 512.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide?
The IUPAC name of potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide (CID 163449131) is potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide.
What is the SMILES notation for potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide?
The canonical SMILES for potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide is C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(-c2ccc3cc(-c4cn(C)c(=O)c5[nH]ccc45)ccc3n2)cc1.C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(-c2ccc3cc(Cl)ccc3n2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(-c6ccc(OCCN7CCN(C)C(=O)[C@H]7C)cc6)ccc5c4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.[K+].[OH-].
What is the InChIKey of potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide?
The InChIKey is BFCCNFLLCSPFQL-BPHNSLAXSA-M. The full InChI is InChI=1S/C38H37N5O5S.C31H31N5O3.C23H24ClN3O2.C21H25BN2O5S.K.H2O/c1-25-5-13-31(14-6-25)49(46,47)43-18-17-32-33(24-41(4)38(45)36(32)43)28-9-15-35-29(23-28)10-16-34(39-35)27-7-11-30(12-8-27)48-22-21-42-20-19-40(3)37(44)26(42)2;1-20-30(37)34(2)14-15-36(20)16-17-39-24-8-4-21(5-9-24)27-11-7-23-18-22(6-10-28(23)33-27)26-19-35(3)31(38)29-25(26)12-13-32-29;1-16-23(28)26(2)11-12-27(16)13-14-29-20-7-3-17(4-8-20)21-9-5-18-15-19(24)6-10-22(18)25-21;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;;/h5-18,23-24,26H,19-22H2,1-4H3;4-13,18-20,32H,14-17H2,1-3H3;3-10,15-16H,11-14H2,1-2H3;7-13H,1-6H3;;1H2/q;;;;+1;/p-1/t26-;20-;16-;;;/m111.../s1.
What are the key properties of potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide?
potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide has a molecular weight of 2091.77 g/mol, XLogP of 12.71, 22 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(3R)-4-[2-[4-(6-chloroquinolin-2-yl)phenoxy]ethyl]-1,3-dimethylpiperazin-2-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydroxide is sourced from PubChem (CID 163449131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).