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

C143H146BCl12I7N14O25 — CID 158430292

IUPACtert-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
SMILESC=CC(=O)Cl.CC.CC(C)(C)OC(=O)N1CCN(c2ccnc3cc(Cl)c(-c4ccccc4Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2ccnc3cc(Cl)c(I)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCO/C=C(/C(C)=O)C(=O)OCC.CCOC(=O)C(=CNc1ccc(I)c(Cl)c1)C(=O)OCC.CCOC(=O)c1c[nH]c2cc(Cl)c(I)cc2c1=O.Clc1cc2nccc(Cl)c2cc1I.Nc1ccc(I)c(Cl)c1.O=C(O)c1c[nH]c2cc(Cl)c(I)cc2c1=O.O=c1cc[nH]c2cc(Cl)c(I)cc12.OB(O)c1ccccc1Cl.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H25Cl2N3O2.C18H21ClIN3O2.C14H15ClINO4.C12H9ClINO3.C12H10O.C10H5ClINO3.C9H4Cl2IN.C9H5ClINO.C9H18N2O2.C9H14O4.C6H6BClO2.C6H5ClIN.C3H3ClO.C2H6/c1-24(2,3)31-23(30)29-12-10-28(11-13-29)22-8-9-27-21-15-20(26)17(14-18(21)22)16-6-4-5-7-19(16)25;1-18(2,3)25-17(24)23-8-6-22(7-9-23)16-4-5-21-15-11-13(19)14(20)10-12(15)16;1-3-20-13(18)10(14(19)21-4-2)8-17-9-5-6-12(16)11(15)7-9;1-2-18-12(17)7-5-15-10-4-8(13)9(14)3-6(10)11(7)16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;11-6-2-8-4(1-7(6)12)9(14)5(3-13-8)10(15)16;10-6-1-2-13-9-4-7(11)8(12)3-5(6)9;10-6-4-8-5(3-7(6)11)9(13)1-2-12-8;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-4-12-6-8(7(3)10)9(11)13-5-2;8-6-4-2-1-3-5(6)7(9)10;7-5-3-4(9)1-2-6(5)8;1-2-3(4)5;1-2/h4-9,14-15H,10-13H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;5-8,17H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,15,16);1-10H;1-3H,(H,13,14)(H,15,16);1-4H;1-4H,(H,12,13);10H,4-7H2,1-3H3;6H,4-5H2,1-3H3;1-4,9-10H;1-3H,9H2;2H,1H2;1-2H3/b;;;;;;;;;8-6-;;;;
InChIKeyHBONJGRIJUYXTQ-XSGMAOLDSA-N
MW3785.39 g/mol
LogP36.44
Rot. Bonds21

About 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

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 (PubChem CID 158430292) has the molecular formula C143H146BCl12I7N14O25 and a molecular weight of 3785.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID158430292
Molecular FormulaC143H146BCl12I7N14O25
Molecular Weight3785.39 g/mol
Exact Mass3778.03
IUPAC Nametert-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
SMILESC=CC(=O)Cl.CC.CC(C)(C)OC(=O)N1CCN(c2ccnc3cc(Cl)c(-c4ccccc4Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2ccnc3cc(Cl)c(I)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCO/C=C(/C(C)=O)C(=O)OCC.CCOC(=O)C(=CNc1ccc(I)c(Cl)c1)C(=O)OCC.CCOC(=O)c1c[nH]c2cc(Cl)c(I)cc2c1=O.Clc1cc2nccc(Cl)c2cc1I.Nc1ccc(I)c(Cl)c1.O=C(O)c1c[nH]c2cc(Cl)c(I)cc2c1=O.O=c1cc[nH]c2cc(Cl)c(I)cc12.OB(O)c1ccccc1Cl.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H25Cl2N3O2.C18H21ClIN3O2.C14H15ClINO4.C12H9ClINO3.C12H10O.C10H5ClINO3.C9H4Cl2IN.C9H5ClINO.C9H18N2O2.C9H14O4.C6H6BClO2.C6H5ClIN.C3H3ClO.C2H6/c1-24(2,3)31-23(30)29-12-10-28(11-13-29)22-8-9-27-21-15-20(26)17(14-18(21)22)16-6-4-5-7-19(16)25;1-18(2,3)25-17(24)23-8-6-22(7-9-23)16-4-5-21-15-11-13(19)14(20)10-12(15)16;1-3-20-13(18)10(14(19)21-4-2)8-17-9-5-6-12(16)11(15)7-9;1-2-18-12(17)7-5-15-10-4-8(13)9(14)3-6(10)11(7)16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;11-6-2-8-4(1-7(6)12)9(14)5(3-13-8)10(15)16;10-6-1-2-13-9-4-7(11)8(12)3-5(6)9;10-6-4-8-5(3-7(6)11)9(13)1-2-12-8;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-4-12-6-8(7(3)10)9(11)13-5-2;8-6-4-2-1-3-5(6)7(9)10;7-5-3-4(9)1-2-6(5)8;1-2-3(4)5;1-2/h4-9,14-15H,10-13H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;5-8,17H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,15,16);1-10H;1-3H,(H,13,14)(H,15,16);1-4H;1-4H,(H,12,13);10H,4-7H2,1-3H3;6H,4-5H2,1-3H3;1-4,9-10H;1-3H,9H2;2H,1H2;1-2H3/b;;;;;;;;;8-6-;;;;
InChIKeyHBONJGRIJUYXTQ-XSGMAOLDSA-N
XLogP36.44
TPSA517.99 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003785.39
LogP ≤ 536.44
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 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 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
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
3-bromo-7-chloro-6-iodo-1H-quinolin-4-one;tert-butyl (2R)-2-[2-(3-bromo-7-chloro-6-iodoquinolin-4-yl)oxyethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-[2-[3-bromo-7-chloro-6-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyethyl]piperidine-1-carboxylate;tert-butyl (2R)-2-(2-hydroxyethyl)piperidine-1-carboxylate;3-chloro-4-iodoaniline;7-chloro-6-iodo-1H-quinolin-4-one;diethyl 2-[(3-chloro-4-iodoanilino)methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;(3,5-dimethylphenyl)boronic acid;ethyl 7-chloro-6-iodo-4-oxo-1H-quinoline-3-carboxylate;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 158504773
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
sodium;3-chloro-4-iodoaniline;7-chloro-6-iodo-4-oxo-1H-quinoline-3-carboxylic acid;7-chloro-6-iodo-1H-quinolin-4-one;4,7-dichloro-6-iodoquinoline;diethyl 2-[(3-chloro-4-iodoanilino)methylidene]propanedioate;diethyl 2-ethylidenepropanedioate;ethyl 7-chloro-6-iodo-4-oxo-1H-quinoline-3-carboxylate;methane;phenoxybenzene;phosphoryl trichloride;hydroxide
CID 161142948

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)Cl.CC.CC(C)(C)OC(=O)N1CCN(c2ccnc3cc(Cl)c(-c4ccccc4Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2ccnc3cc(Cl)c(I)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCO/C=C(/C(C)=O)C(=O)OCC.CCOC(=O)C(=CNc1ccc(I)c(Cl)c1)C(=O)OCC.CCOC(=O)c1c[nH]c2cc(Cl)c(I)cc2c1=O.Clc1cc2nccc(Cl)c2cc1I.Nc1ccc(I)c(Cl)c1.O=C(O)c1c[nH]c2cc(Cl)c(I)cc2c1=O.O=c1cc[nH]c2cc(Cl)c(I)cc12.OB(O)c1ccccc1Cl.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is HBONJGRIJUYXTQ-XSGMAOLDSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2.C18H21ClIN3O2.C14H15ClINO4.C12H9ClINO3.C12H10O.C10H5ClINO3.C9H4Cl2IN.C9H5ClINO.C9H18N2O2.C9H14O4.C6H6BClO2.C6H5ClIN.C3H3ClO.C2H6/c1-24(2,3)31-23(30)29-12-10-28(11-13-29)22-8-9-27-21-15-20(26)17(14-18(21)22)16-6-4-5-7-19(16)25;1-18(2,3)25-17(24)23-8-6-22(7-9-23)16-4-5-21-15-11-13(19)14(20)10-12(15)16;1-3-20-13(18)10(14(19)21-4-2)8-17-9-5-6-12(16)11(15)7-9;1-2-18-12(17)7-5-15-10-4-8(13)9(14)3-6(10)11(7)16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;11-6-2-8-4(1-7(6)12)9(14)5(3-13-8)10(15)16;10-6-1-2-13-9-4-7(11)8(12)3-5(6)9;10-6-4-8-5(3-7(6)11)9(13)1-2-12-8;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-4-12-6-8(7(3)10)9(11)13-5-2;8-6-4-2-1-3-5(6)7(9)10;7-5-3-4(9)1-2-6(5)8;1-2-3(4)5;1-2/h4-9,14-15H,10-13H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;5-8,17H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,15,16);1-10H;1-3H,(H,13,14)(H,15,16);1-4H;1-4H,(H,12,13);10H,4-7H2,1-3H3;6H,4-5H2,1-3H3;1-4,9-10H;1-3H,9H2;2H,1H2;1-2H3/b;;;;;;;;;8-6-;;;;.
What are the key properties of 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?
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 has a molecular weight of 3785.39 g/mol, XLogP of 36.44, 21 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158430292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).