potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium

C33H43K11N2O9 — CID 159457510

IUPACpotassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium
SMILESCOC(=O)/C=C(/Nc1cccc(OC(C)(C)C)c1C)C(=O)OC.COC(=O)c1cc(=O)c2ccc(OC(C)(C)C)c(C)c2[nH]1.[H-].[K+].[K][K].[K][K].[K][K].[K][K].[K][K]
InChIInChI=1S/C17H23NO5.C16H19NO4.11K.H/c1-11-12(8-7-9-14(11)23-17(2,3)4)18-13(16(20)22-6)10-15(19)21-5;1-9-13(21-16(2,3)4)7-6-10-12(18)8-11(15(19)20-5)17-14(9)10;;;;;;;;;;;;/h7-10,18H,1-6H3;6-8H,1-5H3,(H,17,18);;;;;;;;;;;;/q;;;;;;;;;;;;+1;-1/b13-10+;;;;;;;;;;;;;
InChIKeyGTWNREMAAMZISJ-YMMZIEOOSA-N
MW1041.79 g/mol
LogP-1.08
Rot. Bonds7

About potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium

potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium (PubChem CID 159457510) has the molecular formula C33H43K11N2O9 and a molecular weight of 1041.79 g/mol. Its IUPAC name is potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium.

Molecular Properties

Compound Namepotassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium
PubChem CID159457510
Molecular FormulaC33H43K11N2O9
Molecular Weight1041.79 g/mol
Exact Mass1039.90
IUPAC Namepotassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium
SMILESCOC(=O)/C=C(/Nc1cccc(OC(C)(C)C)c1C)C(=O)OC.COC(=O)c1cc(=O)c2ccc(OC(C)(C)C)c(C)c2[nH]1.[H-].[K+].[K][K].[K][K].[K][K].[K][K].[K][K]
InChIInChI=1S/C17H23NO5.C16H19NO4.11K.H/c1-11-12(8-7-9-14(11)23-17(2,3)4)18-13(16(20)22-6)10-15(19)21-5;1-9-13(21-16(2,3)4)7-6-10-12(18)8-11(15(19)20-5)17-14(9)10;;;;;;;;;;;;/h7-10,18H,1-6H3;6-8H,1-5H3,(H,17,18);;;;;;;;;;;;/q;;;;;;;;;;;;+1;-1/b13-10+;;;;;;;;;;;;;
InChIKeyGTWNREMAAMZISJ-YMMZIEOOSA-N
XLogP-1.08
TPSA142.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001041.79
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium with MolForge

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Launch Full Analysis

Related Compounds

dimethyl (E)-2-(2-methylsulfanylanilino)but-2-enedioate;methyl 8-methylsulfanyl-4-oxo-1H-quinoline-2-carboxylate;molecular fluorine;hydrofluoride
CID 160972163
dimethyl but-2-ynedioate;dimethyl (E)-2-(2,3,4-trimethylanilino)but-2-enedioate;methyl 6,7,8-trimethyl-4-oxo-1H-quinoline-2-carboxylate;2,3,4-trimethylaniline
CID 161453143
CID 159052163
CID 159052163
dimethyl (E)-2-[(6-hydroxynaphthalen-1-yl)amino]but-2-enedioate
CID 168566197
dimethyl (E)-2-[2-methyl-3-(methylcarbamoyl)anilino]but-2-enedioate
CID 168570363
dimethyl (E)-2-(2-methoxycarbonylanilino)but-2-enedioate
CID 168566533
dimethyl 3-[[(E)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]amino]benzene-1,2-dicarboxylate
CID 168566495
dimethyl (E)-2-[2-[(2-methoxyphenyl)carbamoyl]anilino]but-2-enedioate
CID 168570158
dimethyl (E)-2-[(3-oxo-2H-isoquinolin-5-yl)amino]but-2-enedioate
CID 168569854
dimethyl (Z)-2-(2-iodoanilino)but-2-enedioate
CID 14867928
dimethyl (E)-2-[(3-iodo-2H-indazol-7-yl)amino]but-2-enedioate
CID 168567875
dimethyl (E)-2-[(3-methoxycarbonyl-2H-indazol-7-yl)amino]but-2-enedioate
CID 168566839

Frequently Asked Questions

What is the IUPAC name of potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium?
The IUPAC name of potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium (CID 159457510) is potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium.
What is the SMILES notation for potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium?
The canonical SMILES for potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium is COC(=O)/C=C(/Nc1cccc(OC(C)(C)C)c1C)C(=O)OC.COC(=O)c1cc(=O)c2ccc(OC(C)(C)C)c(C)c2[nH]1.[H-].[K+].[K][K].[K][K].[K][K].[K][K].[K][K].
What is the InChIKey of potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium?
The InChIKey is GTWNREMAAMZISJ-YMMZIEOOSA-N. The full InChI is InChI=1S/C17H23NO5.C16H19NO4.11K.H/c1-11-12(8-7-9-14(11)23-17(2,3)4)18-13(16(20)22-6)10-15(19)21-5;1-9-13(21-16(2,3)4)7-6-10-12(18)8-11(15(19)20-5)17-14(9)10;;;;;;;;;;;;/h7-10,18H,1-6H3;6-8H,1-5H3,(H,17,18);;;;;;;;;;;;/q;;;;;;;;;;;;+1;-1/b13-10+;;;;;;;;;;;;;.
What are the key properties of potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium?
potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium has a molecular weight of 1041.79 g/mol, XLogP of -1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;dimethyl (E)-2-[2-methyl-3-[(2-methylpropan-2-yl)oxy]anilino]but-2-enedioate;hydride;methyl 8-methyl-7-[(2-methylpropan-2-yl)oxy]-4-oxo-1H-quinoline-2-carboxylate;potassiopotassium is sourced from PubChem (CID 159457510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).