aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide

C159H238AlBCl3N12O24PdS- — CID 158454807

IUPACaniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide
SMILESC.C.C.C.C.C.C.C.C.CB(O)Nc1cnc2ccccc2c1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)O.CCOC(=O)C(=CNc1ccccc1)C(=O)OCC.CCOC(=O)c1c[nH]c2ccccc2c1=O.CCOC(=O)c1cnc2ccccc2c1.CCOC(=O)c1cnc2ccccc2c1Cl.CCOC=C(C(=O)OCC)C(=O)OCC.C[Al](C)C.Nc1ccccc1.Nc1cnc2ccccc2c1.O=C(Nc1cnc2ccccc2c1)c1ccccc1.O=C(O)c1cnc2ccccc2c1.O=S(Cl)Cl.[H][H].[OH-].[Pd].c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H12N2O.C14H17NO4.C12H10ClNO2.C12H11NO3.C12H11NO2.C12H10O.C10H11BN2O.C10H7NO2.C10H16O5.C9H8N2.C6H7N.C4H10O.10C2H6.9CH4.3CH3.Al.Cl2OS.H2O.Pd.H2/c19-16(12-6-2-1-3-7-12)18-14-10-13-8-4-5-9-15(13)17-11-14;1-3-18-13(16)12(14(17)19-4-2)10-15-11-8-6-5-7-9-11;1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13;1-2-16-12(15)9-7-13-10-6-4-3-5-8(10)11(9)14;1-2-15-12(14)10-7-9-5-3-4-6-11(9)13-8-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-11(14)13-9-6-8-4-2-3-5-10(8)12-7-9;12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;10-8-5-7-3-1-2-4-9(7)11-6-8;7-6-4-2-1-3-5-6;1-4(2,3)5;10*1-2;;;;;;;;;;;;;;1-4(2)3;;;/h1-11H,(H,18,19);5-10,15H,3-4H2,1-2H3;3-7H,2H2,1H3;3-7H,2H2,1H3,(H,13,14);3-8H,2H2,1H3;1-10H;2-7,13-14H,1H3;1-6H,(H,12,13);7H,4-6H2,1-3H3;1-6H,10H2;1-5H,7H2;5H,1-3H3;10*1-2H3;9*1H4;3*1H3;;;1H2;;1H/p-1
InChIKeyDUNCOLIQXSCKTH-UHFFFAOYSA-M
MW2984.35 g/mol
LogP43.31
Rot. Bonds25

About aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide

aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide (PubChem CID 158454807) has the molecular formula C159H238AlBCl3N12O24PdS- and a molecular weight of 2984.35 g/mol. Its IUPAC name is aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide.

Molecular Properties

Compound Nameaniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide
PubChem CID158454807
Molecular FormulaC159H238AlBCl3N12O24PdS-
Molecular Weight2984.35 g/mol
Exact Mass2980.55
IUPAC Nameaniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide
SMILESC.C.C.C.C.C.C.C.C.CB(O)Nc1cnc2ccccc2c1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)O.CCOC(=O)C(=CNc1ccccc1)C(=O)OCC.CCOC(=O)c1c[nH]c2ccccc2c1=O.CCOC(=O)c1cnc2ccccc2c1.CCOC(=O)c1cnc2ccccc2c1Cl.CCOC=C(C(=O)OCC)C(=O)OCC.C[Al](C)C.Nc1ccccc1.Nc1cnc2ccccc2c1.O=C(Nc1cnc2ccccc2c1)c1ccccc1.O=C(O)c1cnc2ccccc2c1.O=S(Cl)Cl.[H][H].[OH-].[Pd].c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H12N2O.C14H17NO4.C12H10ClNO2.C12H11NO3.C12H11NO2.C12H10O.C10H11BN2O.C10H7NO2.C10H16O5.C9H8N2.C6H7N.C4H10O.10C2H6.9CH4.3CH3.Al.Cl2OS.H2O.Pd.H2/c19-16(12-6-2-1-3-7-12)18-14-10-13-8-4-5-9-15(13)17-11-14;1-3-18-13(16)12(14(17)19-4-2)10-15-11-8-6-5-7-9-11;1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13;1-2-16-12(15)9-7-13-10-6-4-3-5-8(10)11(9)14;1-2-15-12(14)10-7-9-5-3-4-6-11(9)13-8-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-11(14)13-9-6-8-4-2-3-5-10(8)12-7-9;12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;10-8-5-7-3-1-2-4-9(7)11-6-8;7-6-4-2-1-3-5-6;1-4(2,3)5;10*1-2;;;;;;;;;;;;;;1-4(2)3;;;/h1-11H,(H,18,19);5-10,15H,3-4H2,1-2H3;3-7H,2H2,1H3;3-7H,2H2,1H3,(H,13,14);3-8H,2H2,1H3;1-10H;2-7,13-14H,1H3;1-6H,(H,12,13);7H,4-6H2,1-3H3;1-6H,10H2;1-5H,7H2;5H,1-3H3;10*1-2H3;9*1H4;3*1H3;;;1H2;;1H/p-1
InChIKeyDUNCOLIQXSCKTH-UHFFFAOYSA-M
XLogP43.31
TPSA542.79 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002984.35
LogP ≤ 543.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide with MolForge

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Related Compounds

sodium;tert-butyl 4-(7-chloro-6-iodoquinolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;carbanide;3-chloro-4-iodoaniline;7-chloro-6-iodo-4-oxo-1H-quinoline-3-carboxylic acid;7-chloro-6-iodo-1H-quinolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-iodoquinoline;diethyl 2-[(3-chloro-4-iodoanilino)methylidene]propanedioate;ethyl 7-chloro-6-iodo-4-oxo-1H-quinoline-3-carboxylate;ethyl (2Z)-2-(ethoxymethylidene)-3-oxobutanoate;methane;phenoxybenzene;hydroxide
CID 157240265
sodium;tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-chloro-6-iodoquinolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;carbanide;3-chloro-4-iodoaniline;7-chloro-6-iodo-4-oxo-1H-quinoline-3-carboxylic acid;7-chloro-6-iodo-1H-quinolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-iodoquinoline;diethyl 2-[(3-chloro-4-iodoanilino)methylidene]propanedioate;ethyl 7-chloro-6-iodo-4-oxo-1H-quinoline-3-carboxylate;ethyl (2Z)-2-(ethoxymethylidene)-3-oxobutanoate;methane;phenoxybenzene;prop-2-enoyl chloride;hydroxide
CID 158114243
N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate
CID 158319234
tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-chloro-6-iodoquinolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;3-chloro-4-iodoaniline;7-chloro-6-iodo-4-oxo-1H-quinoline-3-carboxylic acid;7-chloro-6-iodo-1H-quinolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-iodoquinoline;diethyl 2-[(3-chloro-4-iodoanilino)methylidene]propanedioate;ethane;ethyl 7-chloro-6-iodo-4-oxo-1H-quinoline-3-carboxylate;ethyl (2Z)-2-(ethoxymethylidene)-3-oxobutanoate;phenoxybenzene;prop-2-enoyl chloride
CID 158430292
tert-butyl N-[(4-chloro-1,5-naphthyridin-3-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-1,2-dihydro-1,5-naphthyridin-3-yl)methanol;chloroform;4-chloro-1,5-naphthyridine-3-carbaldehyde;1-(4-chloro-1,5-naphthyridin-3-yl)-N-methylmethanamine;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(pyridin-3-ylamino)methylidene]propanedioate;dioxomanganese;ethanol;ethyl 4-chloro-1,5-naphthyridine-3-carboxylate;ethyl 4-oxo-1H-1,5-naphthyridine-3-carboxylate;methanamine;methane;phenoxybenzene;pyridin-3-amine
CID 158577547
6-chloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;[4-(4-fluorophenoxy)phenyl]boronic acid;6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;2-piperidin-1-ylethanamine
CID 158760675
4-bromo-6-methoxyquinoline-3-carboxylic acid;4-chloro-6-methoxyquinoline-3-carboxamide;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(4-methoxyanilino)methylidene]propanedioate;ethyl 4-bromo-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate;4-methoxyaniline
CID 158871326
(4R)-5-amino-4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]-5-oxopentanoic acid;aniline;butane-1,4-diamine;tert-butyl (4S)-4-amino-5-(methylamino)-5-oxopentanoate;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-(4-aminobutylamino)quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid
CID 158987665
4-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(6-fluoroquinolin-3-yl)benzamide;diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(4-fluoroanilino)methylidene]propanedioate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-oxo-1H-quinoline-3-carboxylate;ethyl 6-fluoroquinoline-3-carboxylate;4-fluoroaniline;6-fluoroquinolin-3-amine;6-fluoroquinoline-3-carboxylic acid;N-(6-fluoroquinolin-3-yl)-methylboronamidic acid;methanol;2-methylpropan-2-ol;molecular hydrogen;palladium;phenoxybenzene;thionyl dichloride;trimethylalumane
CID 158991903
6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;6-chloro-4-(3-methylanilino)-1,5-naphthyridine-3-carboxylic acid;(4-methoxyphenyl)methanamine
CID 160101300
2-amino-4-chloro-5-iodobenzaldehyde;tert-butyl 4-[7-chloro-6-(2-chlorophenyl)quinolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-chloro-6-iodoquinolin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[4-[7-chloro-6-(2-chlorophenyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;7-chloro-6-iodo-4-oxo-1H-quinoline-3-carboxylic acid;7-chloro-6-iodo-1H-quinolin-4-one;(2-chlorophenyl)boronic acid;4,7-dichloro-6-iodoquinoline;diethyl 2-[(3-chloro-4-iodoanilino)methylidene]propanedioate;ethane;ethyl 7-chloro-6-iodo-4-oxo-1H-quinoline-3-carboxylate;ethyl (2Z)-2-(ethoxymethylidene)-3-oxobutanoate;methane;phenoxybenzene;prop-2-enoyl chloride
CID 160945013
Diethyl 2-(ethoxymethylidene)propanedioate;diethyl 2-[(4-methoxyanilino)methylidene]propanedioate;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxyquinoline-3-carboxylate;6-hydroxyquinoline-3-carboxylic acid;4-methoxyaniline;molecular hydrogen;phosphoryl trichloride;hydrobromide
CID 161216524

Frequently Asked Questions

What is the IUPAC name of aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide?
The IUPAC name of aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide (CID 158454807) is aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide.
What is the SMILES notation for aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide?
The canonical SMILES for aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide is C.C.C.C.C.C.C.C.C.CB(O)Nc1cnc2ccccc2c1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)O.CCOC(=O)C(=CNc1ccccc1)C(=O)OCC.CCOC(=O)c1c[nH]c2ccccc2c1=O.CCOC(=O)c1cnc2ccccc2c1.CCOC(=O)c1cnc2ccccc2c1Cl.CCOC=C(C(=O)OCC)C(=O)OCC.C[Al](C)C.Nc1ccccc1.Nc1cnc2ccccc2c1.O=C(Nc1cnc2ccccc2c1)c1ccccc1.O=C(O)c1cnc2ccccc2c1.O=S(Cl)Cl.[H][H].[OH-].[Pd].c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide?
The InChIKey is DUNCOLIQXSCKTH-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12N2O.C14H17NO4.C12H10ClNO2.C12H11NO3.C12H11NO2.C12H10O.C10H11BN2O.C10H7NO2.C10H16O5.C9H8N2.C6H7N.C4H10O.10C2H6.9CH4.3CH3.Al.Cl2OS.H2O.Pd.H2/c19-16(12-6-2-1-3-7-12)18-14-10-13-8-4-5-9-15(13)17-11-14;1-3-18-13(16)12(14(17)19-4-2)10-15-11-8-6-5-7-9-11;1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13;1-2-16-12(15)9-7-13-10-6-4-3-5-8(10)11(9)14;1-2-15-12(14)10-7-9-5-3-4-6-11(9)13-8-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-11(14)13-9-6-8-4-2-3-5-10(8)12-7-9;12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;10-8-5-7-3-1-2-4-9(7)11-6-8;7-6-4-2-1-3-5-6;1-4(2,3)5;10*1-2;;;;;;;;;;;;;;1-4(2)3;;;/h1-11H,(H,18,19);5-10,15H,3-4H2,1-2H3;3-7H,2H2,1H3;3-7H,2H2,1H3,(H,13,14);3-8H,2H2,1H3;1-10H;2-7,13-14H,1H3;1-6H,(H,12,13);7H,4-6H2,1-3H3;1-6H,10H2;1-5H,7H2;5H,1-3H3;10*1-2H3;9*1H4;3*1H3;;;1H2;;1H/p-1.
What are the key properties of aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide?
aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide has a molecular weight of 2984.35 g/mol, XLogP of 43.31, 25 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;diethyl 2-(anilinomethylidene)propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;ethane;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-oxo-1H-quinoline-3-carboxylate;ethyl quinoline-3-carboxylate;methane;2-methylpropan-2-ol;methyl-N-quinolin-3-ylboronamidic acid;molecular hydrogen;palladium;phenoxybenzene;quinolin-3-amine;quinoline-3-carboxylic acid;N-quinolin-3-ylbenzamide;thionyl dichloride;trimethylalumane;hydroxide is sourced from PubChem (CID 158454807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).