acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine

C130H157N18Ni2O25+ — CID 161017634

IUPACacetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine
SMILESCC(=O)O.CC(=O)O.CCCCC(CC)COC(=O)c1cc2c(O)ccc(/N=N/c3ccccn3)c2nc1C.CCCCC(CC)COC(=O)c1cc2c(O)ccc(/N=N/c3ccccn3)c2nc1C.CCCCC(CC)COC(=O)c1cc2c(OC)ccc(OC)c2nc1C.CCCCC(CC)COC(=O)c1cc2c([O-])ccc(/N=N\c3ccccn3)c2nc1C.CCOC(=O)c1cc2c(OC)ccc(OC)c2nc1C.COc1ccc(OC)c2nc(C)c(C(=O)O)cc12.NNc1ccccn1.[Ni+2].[Ni]
InChIInChI=1S/3C24H28N4O3.C21H29NO4.C15H17NO4.C13H13NO4.C5H7N3.2C2H4O2.2Ni/c3*1-4-6-9-17(5-2)15-31-24(30)18-14-19-21(29)12-11-20(23(19)26-16(18)3)27-28-22-10-7-8-13-25-22;1-6-8-9-15(7-2)13-26-21(23)16-12-17-18(24-4)10-11-19(25-5)20(17)22-14(16)3;1-5-20-15(17)10-8-11-12(18-3)6-7-13(19-4)14(11)16-9(10)2;1-7-8(13(15)16)6-9-10(17-2)4-5-11(18-3)12(9)14-7;6-8-5-3-1-2-4-7-5;2*1-2(3)4;;/h3*7-8,10-14,17,29H,4-6,9,15H2,1-3H3;10-12,15H,6-9,13H2,1-5H3;6-8H,5H2,1-4H3;4-6H,1-3H3,(H,15,16);1-4H,6H2,(H,7,8);2*1H3,(H,3,4);;/q;;;;;;;;;;+2/p-1/b2*28-27+;28-27-;;;;;;;;
InChIKeyNDBSECASSPVPLG-FIDWASAYSA-M
MW2489.17 g/mol
LogP29.14
Rot. Bonds44

About acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine

acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine (PubChem CID 161017634) has the molecular formula C130H157N18Ni2O25+ and a molecular weight of 2489.17 g/mol. Its IUPAC name is acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine.

Molecular Properties

Compound Nameacetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine
PubChem CID161017634
Molecular FormulaC130H157N18Ni2O25+
Molecular Weight2489.17 g/mol
Exact Mass2486.03
IUPAC Nameacetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine
SMILESCC(=O)O.CC(=O)O.CCCCC(CC)COC(=O)c1cc2c(O)ccc(/N=N/c3ccccn3)c2nc1C.CCCCC(CC)COC(=O)c1cc2c(O)ccc(/N=N/c3ccccn3)c2nc1C.CCCCC(CC)COC(=O)c1cc2c(OC)ccc(OC)c2nc1C.CCCCC(CC)COC(=O)c1cc2c([O-])ccc(/N=N\c3ccccn3)c2nc1C.CCOC(=O)c1cc2c(OC)ccc(OC)c2nc1C.COc1ccc(OC)c2nc(C)c(C(=O)O)cc12.NNc1ccccn1.[Ni+2].[Ni]
InChIInChI=1S/3C24H28N4O3.C21H29NO4.C15H17NO4.C13H13NO4.C5H7N3.2C2H4O2.2Ni/c3*1-4-6-9-17(5-2)15-31-24(30)18-14-19-21(29)12-11-20(23(19)26-16(18)3)27-28-22-10-7-8-13-25-22;1-6-8-9-15(7-2)13-26-21(23)16-12-17-18(24-4)10-11-19(25-5)20(17)22-14(16)3;1-5-20-15(17)10-8-11-12(18-3)6-7-13(19-4)14(11)16-9(10)2;1-7-8(13(15)16)6-9-10(17-2)4-5-11(18-3)12(9)14-7;6-8-5-3-1-2-4-7-5;2*1-2(3)4;;/h3*7-8,10-14,17,29H,4-6,9,15H2,1-3H3;10-12,15H,6-9,13H2,1-5H3;6-8H,5H2,1-4H3;4-6H,1-3H3,(H,15,16);1-4H,6H2,(H,7,8);2*1H3,(H,3,4);;/q;;;;;;;;;;+2/p-1/b2*28-27+;28-27-;;;;;;;;
InChIKeyNDBSECASSPVPLG-FIDWASAYSA-M
XLogP29.14
TPSA603.41 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds44
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002489.17
LogP ≤ 529.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine with MolForge

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Launch Full Analysis

Related Compounds

bis(3-(2-ethylhexoxycarbonyl)-8-(pyridin-2-yldiazenyl)quinolin-5-olate);nickel
CID 59728743
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
2-ethylhexyl pyridine-2-carboxylate
CID 46198409
ethanol;2-(2-ethylhexoxycarbonyl)benzoic acid
CID 175410629
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
2-ethylhexyl 2,3-dihydroxybenzoate
CID 175413950
4-(2-ethylhexoxycarbonyl)benzene-1,2,3-tricarboxylic acid
CID 141451805
2,3,4-tris(2-ethylhexoxycarbonyl)benzoic acid
CID 141011156
[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 146469755
benzoic acid;2-ethylhexyl benzoate
CID 90214866
2-ethylhexyl 2-(2-methylprop-2-enoxy)benzoate
CID 146237456

Frequently Asked Questions

What is the IUPAC name of acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine?
The IUPAC name of acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine (CID 161017634) is acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine.
What is the SMILES notation for acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine?
The canonical SMILES for acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine is CC(=O)O.CC(=O)O.CCCCC(CC)COC(=O)c1cc2c(O)ccc(/N=N/c3ccccn3)c2nc1C.CCCCC(CC)COC(=O)c1cc2c(O)ccc(/N=N/c3ccccn3)c2nc1C.CCCCC(CC)COC(=O)c1cc2c(OC)ccc(OC)c2nc1C.CCCCC(CC)COC(=O)c1cc2c([O-])ccc(/N=N\c3ccccn3)c2nc1C.CCOC(=O)c1cc2c(OC)ccc(OC)c2nc1C.COc1ccc(OC)c2nc(C)c(C(=O)O)cc12.NNc1ccccn1.[Ni+2].[Ni].
What is the InChIKey of acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine?
The InChIKey is NDBSECASSPVPLG-FIDWASAYSA-M. The full InChI is InChI=1S/3C24H28N4O3.C21H29NO4.C15H17NO4.C13H13NO4.C5H7N3.2C2H4O2.2Ni/c3*1-4-6-9-17(5-2)15-31-24(30)18-14-19-21(29)12-11-20(23(19)26-16(18)3)27-28-22-10-7-8-13-25-22;1-6-8-9-15(7-2)13-26-21(23)16-12-17-18(24-4)10-11-19(25-5)20(17)22-14(16)3;1-5-20-15(17)10-8-11-12(18-3)6-7-13(19-4)14(11)16-9(10)2;1-7-8(13(15)16)6-9-10(17-2)4-5-11(18-3)12(9)14-7;6-8-5-3-1-2-4-7-5;2*1-2(3)4;;/h3*7-8,10-14,17,29H,4-6,9,15H2,1-3H3;10-12,15H,6-9,13H2,1-5H3;6-8H,5H2,1-4H3;4-6H,1-3H3,(H,15,16);1-4H,6H2,(H,7,8);2*1H3,(H,3,4);;/q;;;;;;;;;;+2/p-1/b2*28-27+;28-27-;;;;;;;;.
What are the key properties of acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine?
acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine has a molecular weight of 2489.17 g/mol, XLogP of 29.14, 44 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5,8-dimethoxy-2-methylquinoline-3-carboxylic acid;ethyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate;2-ethylhexyl 5,8-dimethoxy-2-methylquinoline-3-carboxylate;bis(2-ethylhexyl 5-hydroxy-2-methyl-8-(pyridin-2-yldiazenyl)quinoline-3-carboxylate);nickel;nickel(2+);pyridin-2-ylhydrazine is sourced from PubChem (CID 161017634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).