potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide

C83H107KN6O23 — CID 160760062

IUPACpotassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide
SMILESC.C.CC(C)(C)c1cc(C(C)(C)CO)c(O)cc1NC(=O)c1c[nH]c2ccccc2c1=O.CO.COC(=O)OCC(C)(C)c1cc(C(C)(C)C)c(N)cc1OC(=O)OC.COC(=O)OCC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1OC(=O)OC.O=C(O)c1c[nH]c2ccccc2c1=O.[K+].[OH-]
InChIInChI=1S/C28H32N2O8.C24H28N2O4.C18H27NO6.C10H7NO3.CH4O.2CH4.K.H2O/c1-27(2,3)18-12-19(28(4,5)15-37-25(33)35-6)22(38-26(34)36-7)13-21(18)30-24(32)17-14-29-20-11-9-8-10-16(20)23(17)31;1-23(2,3)16-10-17(24(4,5)13-27)20(28)11-19(16)26-22(30)15-12-25-18-9-7-6-8-14(18)21(15)29;1-17(2,3)11-8-12(18(4,5)10-24-15(20)22-6)14(9-13(11)19)25-16(21)23-7;12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14;1-2;;;;/h8-14H,15H2,1-7H3,(H,29,31)(H,30,32);6-12,27-28H,13H2,1-5H3,(H,25,29)(H,26,30);8-9H,10,19H2,1-7H3;1-5H,(H,11,12)(H,13,14);2H,1H3;2*1H4;;1H2/q;;;;;;;+1;/p-1
InChIKeyRXYDDJSXVYBLHT-UHFFFAOYSA-M
MW1595.89 g/mol
LogP12.04
Rot. Bonds15

About potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide

potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide (PubChem CID 160760062) has the molecular formula C83H107KN6O23 and a molecular weight of 1595.89 g/mol. Its IUPAC name is potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide.

Molecular Properties

Compound Namepotassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide
PubChem CID160760062
Molecular FormulaC83H107KN6O23
Molecular Weight1595.89 g/mol
Exact Mass1594.70
IUPAC Namepotassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide
SMILESC.C.CC(C)(C)c1cc(C(C)(C)CO)c(O)cc1NC(=O)c1c[nH]c2ccccc2c1=O.CO.COC(=O)OCC(C)(C)c1cc(C(C)(C)C)c(N)cc1OC(=O)OC.COC(=O)OCC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1OC(=O)OC.O=C(O)c1c[nH]c2ccccc2c1=O.[K+].[OH-]
InChIInChI=1S/C28H32N2O8.C24H28N2O4.C18H27NO6.C10H7NO3.CH4O.2CH4.K.H2O/c1-27(2,3)18-12-19(28(4,5)15-37-25(33)35-6)22(38-26(34)36-7)13-21(18)30-24(32)17-14-29-20-11-9-8-10-16(20)23(17)31;1-23(2,3)16-10-17(24(4,5)13-27)20(28)11-19(16)26-22(30)15-12-25-18-9-7-6-8-14(18)21(15)29;1-17(2,3)11-8-12(18(4,5)10-24-15(20)22-6)14(9-13(11)19)25-16(21)23-7;12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14;1-2;;;;/h8-14H,15H2,1-7H3,(H,29,31)(H,30,32);6-12,27-28H,13H2,1-5H3,(H,25,29)(H,26,30);8-9H,10,19H2,1-7H3;1-5H,(H,11,12)(H,13,14);2H,1H3;2*1H4;;1H2/q;;;;;;;+1;/p-1
InChIKeyRXYDDJSXVYBLHT-UHFFFAOYSA-M
XLogP12.04
TPSA452.91 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001595.89
LogP ≤ 512.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-tert-butyl-5-hydroxy-4-(2-methylbutan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 59544162
5-amino-2-tert-butyl-3-deuterio-4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenol;N-[4-tert-butyl-3-deuterio-2-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide;4-oxo-1H-quinoline-3-carboxylic acid
CID 160539867
lithium;alumane;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;2-bromo-4-tert-butyl-5-nitrophenol;4-tert-butyl-2-(1-hydroxy-2-methylpropan-2-yl)-5-nitrophenol;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-nitrophenyl] methyl carbonate;hydride;methane;methanol;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 2-(5-tert-butyl-2-hydroxy-4-nitrophenyl)-2-methylpropanoate;methyl carbonochloridate;oxolane;4-oxo-1H-quinoline-3-carboxylic acid
CID 158426322
N-(4-tert-butyl-2-ethyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87461578
disodium;6-amino-5-tert-butyl-3,3-dimethyl-1-benzofuran-2-one;[2-(1-amino-2-methyl-1-oxopropan-2-yl)-4-tert-butyl-5-nitrophenyl] methyl carbonate;5-tert-butyl-3,3-dimethyl-6-nitro-1-benzofuran-2-one;N-(5-tert-butyl-3,3-dimethyl-2-oxo-1-benzofuran-6-yl)-4-oxo-1H-quinoline-3-carboxamide;2-(5-tert-butyl-2-hydroxy-4-nitrophenyl)-2-methylpropanoic acid;2-[5-tert-butyl-2-hydroxy-4-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropanoic acid;methane;methanol;oxolane;4-oxo-1H-quinoline-3-carboxylic acid;dihydroxide
CID 157257139
3-[[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)anilino]-hydroxymethyl]-1H-quinolin-4-one
CID 130462267
N-(4-tert-butyl-5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 53247257
N-[2,4-bis(1,1-diiodo-2-methylpropan-2-yl)-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 130421660
N-[2-tert-butyl-4-[diethyl(methyl)-λ4-sulfanyl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 138649676
[2-tert-butyl-4-fluoro-6-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate
CID 66675011
N-(2,4-ditert-butyl-5-hydroxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 59410073
N-[4-tert-butyl-2-[tert-butyl(dimethyl)-λ4-sulfanyl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 138650069

Frequently Asked Questions

What is the IUPAC name of potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide?
The IUPAC name of potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide (CID 160760062) is potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide.
What is the SMILES notation for potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide?
The canonical SMILES for potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide is C.C.CC(C)(C)c1cc(C(C)(C)CO)c(O)cc1NC(=O)c1c[nH]c2ccccc2c1=O.CO.COC(=O)OCC(C)(C)c1cc(C(C)(C)C)c(N)cc1OC(=O)OC.COC(=O)OCC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1OC(=O)OC.O=C(O)c1c[nH]c2ccccc2c1=O.[K+].[OH-].
What is the InChIKey of potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide?
The InChIKey is RXYDDJSXVYBLHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H32N2O8.C24H28N2O4.C18H27NO6.C10H7NO3.CH4O.2CH4.K.H2O/c1-27(2,3)18-12-19(28(4,5)15-37-25(33)35-6)22(38-26(34)36-7)13-21(18)30-24(32)17-14-29-20-11-9-8-10-16(20)23(17)31;1-23(2,3)16-10-17(24(4,5)13-27)20(28)11-19(16)26-22(30)15-12-25-18-9-7-6-8-14(18)21(15)29;1-17(2,3)11-8-12(18(4,5)10-24-15(20)22-6)14(9-13(11)19)25-16(21)23-7;12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14;1-2;;;;/h8-14H,15H2,1-7H3,(H,29,31)(H,30,32);6-12,27-28H,13H2,1-5H3,(H,25,29)(H,26,30);8-9H,10,19H2,1-7H3;1-5H,(H,11,12)(H,13,14);2H,1H3;2*1H4;;1H2/q;;;;;;;+1;/p-1.
What are the key properties of potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide?
potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide has a molecular weight of 1595.89 g/mol, XLogP of 12.04, 15 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[5-amino-4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate;methane;methanol;4-oxo-1H-quinoline-3-carboxylic acid;hydroxide is sourced from PubChem (CID 160760062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).