potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide

C107H109BBrKN12O16S2 — CID 163547692

IUPACpotassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide
SMILESCC1(C)OB(c2ccc(OCCN3CCOCC3)cc2)OC1(C)C.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(-c6ccc(OCCN7CCOCC7)cc6)ccc5n4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(Br)ccc5n4)cn(C)c(=O)c32)cc1.Cn1cc(-c2ccc3cc(-c4ccc(OCCN5CCOCC5)cc4)ccc3n2)c2cc[nH]c2c1=O.[K+].[OH-]
InChIInChI=1S/C36H34N4O5S.C29H28N4O3.C24H18BrN3O3S.C18H28BNO4.K.H2O/c1-25-3-11-30(12-4-25)46(42,43)40-16-15-31-32(24-38(2)36(41)35(31)40)34-14-8-28-23-27(7-13-33(28)37-34)26-5-9-29(10-6-26)45-22-19-39-17-20-44-21-18-39;1-32-19-25(24-10-11-30-28(24)29(32)34)27-9-5-22-18-21(4-8-26(22)31-27)20-2-6-23(7-3-20)36-17-14-33-12-15-35-16-13-33;1-15-3-7-18(8-4-15)32(30,31)28-12-11-19-20(14-27(2)24(29)23(19)28)22-9-5-16-13-17(25)6-10-21(16)26-22;1-17(2)18(3,4)24-19(23-17)15-5-7-16(8-6-15)22-14-11-20-9-12-21-13-10-20;;/h3-16,23-24H,17-22H2,1-2H3;2-11,18-19,30H,12-17H2,1H3;3-14H,1-2H3;5-8H,9-14H2,1-4H3;;1H2/q;;;;+1;/p-1
InChIKeyFGLDBMBZXOAGOM-UHFFFAOYSA-M
MW2013.06 g/mol
LogP13.33
Rot. Bonds22

About potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide

potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide (PubChem CID 163547692) has the molecular formula C107H109BBrKN12O16S2 and a molecular weight of 2013.06 g/mol. Its IUPAC name is potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide.

Molecular Properties

Compound Namepotassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide
PubChem CID163547692
Molecular FormulaC107H109BBrKN12O16S2
Molecular Weight2013.06 g/mol
Exact Mass2010.64
IUPAC Namepotassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide
SMILESCC1(C)OB(c2ccc(OCCN3CCOCC3)cc2)OC1(C)C.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(-c6ccc(OCCN7CCOCC7)cc6)ccc5n4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(Br)ccc5n4)cn(C)c(=O)c32)cc1.Cn1cc(-c2ccc3cc(-c4ccc(OCCN5CCOCC5)cc4)ccc3n2)c2cc[nH]c2c1=O.[K+].[OH-]
InChIInChI=1S/C36H34N4O5S.C29H28N4O3.C24H18BrN3O3S.C18H28BNO4.K.H2O/c1-25-3-11-30(12-4-25)46(42,43)40-16-15-31-32(24-38(2)36(41)35(31)40)34-14-8-28-23-27(7-13-33(28)37-34)26-5-9-29(10-6-26)45-22-19-39-17-20-44-21-18-39;1-32-19-25(24-10-11-30-28(24)29(32)34)27-9-5-22-18-21(4-8-26(22)31-27)20-2-6-23(7-3-20)36-17-14-33-12-15-35-16-13-33;1-15-3-7-18(8-4-15)32(30,31)28-12-11-19-20(14-27(2)24(29)23(19)28)22-9-5-16-13-17(25)6-10-21(16)26-22;1-17(2)18(3,4)24-19(23-17)15-5-7-16(8-6-15)22-14-11-20-9-12-21-13-10-20;;/h3-16,23-24H,17-22H2,1-2H3;2-11,18-19,30H,12-17H2,1H3;3-14H,1-2H3;5-8H,9-14H2,1-4H3;;1H2/q;;;;+1;/p-1
InChIKeyFGLDBMBZXOAGOM-UHFFFAOYSA-M
XLogP13.33
TPSA312.16 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002013.06
LogP ≤ 513.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide?
The IUPAC name of potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide (CID 163547692) is potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide.
What is the SMILES notation for potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide?
The canonical SMILES for potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide is CC1(C)OB(c2ccc(OCCN3CCOCC3)cc2)OC1(C)C.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(-c6ccc(OCCN7CCOCC7)cc6)ccc5n4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5cc(Br)ccc5n4)cn(C)c(=O)c32)cc1.Cn1cc(-c2ccc3cc(-c4ccc(OCCN5CCOCC5)cc4)ccc3n2)c2cc[nH]c2c1=O.[K+].[OH-].
What is the InChIKey of potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide?
The InChIKey is FGLDBMBZXOAGOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C36H34N4O5S.C29H28N4O3.C24H18BrN3O3S.C18H28BNO4.K.H2O/c1-25-3-11-30(12-4-25)46(42,43)40-16-15-31-32(24-38(2)36(41)35(31)40)34-14-8-28-23-27(7-13-33(28)37-34)26-5-9-29(10-6-26)45-22-19-39-17-20-44-21-18-39;1-32-19-25(24-10-11-30-28(24)29(32)34)27-9-5-22-18-21(4-8-26(22)31-27)20-2-6-23(7-3-20)36-17-14-33-12-15-35-16-13-33;1-15-3-7-18(8-4-15)32(30,31)28-12-11-19-20(14-27(2)24(29)23(19)28)22-9-5-16-13-17(25)6-10-21(16)26-22;1-17(2)18(3,4)24-19(23-17)15-5-7-16(8-6-15)22-14-11-20-9-12-21-13-10-20;;/h3-16,23-24H,17-22H2,1-2H3;2-11,18-19,30H,12-17H2,1H3;3-14H,1-2H3;5-8H,9-14H2,1-4H3;;1H2/q;;;;+1;/p-1.
What are the key properties of potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide?
potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide has a molecular weight of 2013.06 g/mol, XLogP of 13.33, 22 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-(6-bromoquinolin-2-yl)-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]pyrrolo[2,3-c]pyridin-7-one;6-methyl-4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]quinolin-2-yl]-1H-pyrrolo[2,3-c]pyridin-7-one;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine;hydroxide is sourced from PubChem (CID 163547692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).