potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide

C164H193B2Br4Cl2KN22O18S2 — CID 163950039

About potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide

potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide (PubChem CID 163950039) has the molecular formula C164H193B2Br4Cl2KN22O18S2 and a molecular weight of 3275.86 g/mol. Its IUPAC name is potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide.

Molecular Properties

• Compound Name: potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide
• PubChem CID: 163950039
• Molecular Formula: C164H193B2Br4Cl2KN22O18S2
• Molecular Weight: 3275.86 g/mol
• Exact Mass: 3269.02
• IUPAC Name: potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide
• SMILES: CN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6[nH]ccc56)ccc4n3)cc2)CC1.CN1CCN(CCOc2ccc(-c3ccc4cc(Br)ccc4n3)cc2)CC1.CN1CCN(CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.CN1CCN(CCOc2ccc(Br)cc2)CC1.CN1CCNCC1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(-c6ccc(OCCN7CCN(C)CC7)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.ClCCOc1ccc(Br)cc1.Clc1ccc2cc(Br)ccc2n1.[K+].[OH-]
• InChI: InChI=1S/C37H37N5O4S.C30H31N5O2.C22H24BrN3O.C21H25BN2O5S.C19H31BN2O3.C13H19BrN2O.C9H5BrClN.C8H8BrClO.C5H12N2.K.H2O/c1-26-4-12-31(13-5-26)47(44,45)42-17-16-32-33(25-40(3)37(43)36(32)42)28-8-14-35-29(24-28)9-15-34(38-35)27-6-10-30(11-7-27)46-23-22-41-20-18-39(2)19-21-41;1-33-13-15-35(16-14-33)17-18-37-24-7-3-21(4-8-24)27-10-6-23-19-22(5-9-28(23)32-27)26-20-34(2)30(36)29-25(26)11-12-31-29;1-25-10-12-26(13-11-25)14-15-27-20-6-2-17(3-7-20)21-8-4-18-16-19(23)5-9-22(18)24-21;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;1-18(2)19(3,4)25-20(24-18)16-6-8-17(9-7-16)23-15-14-22-12-10-21(5)11-13-22;1-15-6-8-16(9-7-15)10-11-17-13-4-2-12(14)3-5-13;10-7-2-3-8-6(5-7)1-4-9(11)12-8;9-7-1-3-8(4-2-7)11-6-5-10;1-7-4-2-6-3-5-7;;/h4-17,24-25H,18-23H2,1-3H3;3-12,19-20,31H,13-18H2,1-2H3;2-9,16H,10-15H2,1H3;7-13H,1-6H3;6-9H,10-15H2,1-5H3;2-5H,6-11H2,1H3;1-5H;1-4H,5-6H2;6H,2-5H2,1H3;;1H2/q;;;;;;;;;+1;/p-1
• InChIKey: RYNCZJJJDVXOSI-UHFFFAOYSA-M
• XLogP: 23.00
• TPSA: 381.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 34
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3275.86
LogP ≤ 5	23.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide?

The IUPAC name of potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide (CID 163950039) is potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide.

What is the SMILES notation for potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide?

The canonical SMILES for potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide is CN1CCN(CCOc2ccc(-c3ccc4cc(-c5cn(C)c(=O)c6[nH]ccc56)ccc4n3)cc2)CC1.CN1CCN(CCOc2ccc(-c3ccc4cc(Br)ccc4n3)cc2)CC1.CN1CCN(CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.CN1CCN(CCOc2ccc(Br)cc2)CC1.CN1CCNCC1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5nc(-c6ccc(OCCN7CCN(C)CC7)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.ClCCOc1ccc(Br)cc1.Clc1ccc2cc(Br)ccc2n1.[K+].[OH-].

What is the InChIKey of potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide?

The InChIKey is RYNCZJJJDVXOSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C37H37N5O4S.C30H31N5O2.C22H24BrN3O.C21H25BN2O5S.C19H31BN2O3.C13H19BrN2O.C9H5BrClN.C8H8BrClO.C5H12N2.K.H2O/c1-26-4-12-31(13-5-26)47(44,45)42-17-16-32-33(25-40(3)37(43)36(32)42)28-8-14-35-29(24-28)9-15-34(38-35)27-6-10-30(11-7-27)46-23-22-41-20-18-39(2)19-21-41;1-33-13-15-35(16-14-33)17-18-37-24-7-3-21(4-8-24)27-10-6-23-19-22(5-9-28(23)32-27)26-20-34(2)30(36)29-25(26)11-12-31-29;1-25-10-12-26(13-11-25)14-15-27-20-6-2-17(3-7-20)21-8-4-18-16-19(23)5-9-22(18)24-21;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;1-18(2)19(3,4)25-20(24-18)16-6-8-17(9-7-16)23-15-14-22-12-10-21(5)11-13-22;1-15-6-8-16(9-7-15)10-11-17-13-4-2-12(14)3-5-13;10-7-2-3-8-6(5-7)1-4-9(11)12-8;9-7-1-3-8(4-2-7)11-6-5-10;1-7-4-2-6-3-5-7;;/h4-17,24-25H,18-23H2,1-3H3;3-12,19-20,31H,13-18H2,1-2H3;2-9,16H,10-15H2,1H3;7-13H,1-6H3;6-9H,10-15H2,1-5H3;2-5H,6-11H2,1H3;1-5H;1-4H,5-6H2;6H,2-5H2,1H3;;1H2/q;;;;;;;;;+1;/p-1.

What are the key properties of potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide?

potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide has a molecular weight of 3275.86 g/mol, XLogP of 23.00, 34 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;1-bromo-4-(2-chloroethoxy)benzene;6-bromo-2-chloroquinoline;6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinoline;1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;6-methyl-1-(4-methylphenyl)sulfonyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]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;6-methyl-4-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;1-methylpiperazine;1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine;hydroxide is sourced from PubChem (CID 163950039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).