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

C144H192B2Br3Cl7I6N14O27 — CID 158504773

IUPAC3-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
SMILESC.C.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CCCC[C@@H]1CCO.CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1c(Br)cnc2cc(Cl)c(I)cc12.CCOC(=O)C(=CNc1ccc(I)c(Cl)c1)C(=O)OCC.CCOC(=O)c1c[nH]c2cc(Cl)c(I)cc2c1=O.CCOC=C(C(=O)OCC)C(=O)OCC.Cc1cc(C)cc(B(O)O)c1.Cn1cc(-c2cc3c(OCC[C@H]4CCCCN4C(=O)OC(C)(C)C)c(Br)cnc3cc2Cl)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1ccc(I)c(Cl)c1.O=c1c(Br)c[nH]c2cc(Cl)c(I)cc12.O=c1cc[nH]c2cc(Cl)c(I)cc12
InChIInChI=1S/C25H30BrClN4O3.C21H25BrClIN2O3.C14H15ClINO4.C12H9ClINO3.C12H23NO3.C10H17BN2O2.C10H16O5.C9H4BrClINO.C9H5ClINO.C8H11BO2.C6H5ClIN.8CH4/c1-25(2,3)34-24(32)31-9-6-5-7-17(31)8-10-33-23-19-11-18(16-13-29-30(4)15-16)21(27)12-22(19)28-14-20(23)26;1-21(2,3)29-20(27)26-8-5-4-6-13(26)7-9-28-19-14-10-17(24)16(23)11-18(14)25-12-15(19)22;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;1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;10-5-3-13-8-2-6(11)7(12)1-4(8)9(5)14;10-6-4-8-5(3-7(6)11)9(13)1-2-12-8;1-6-3-7(2)5-8(4-6)9(10)11;7-5-3-4(9)1-2-6(5)8;;;;;;;;/h11-15,17H,5-10H2,1-4H3;10-13H,4-9H2,1-3H3;5-8,17H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,15,16);10,14H,4-9H2,1-3H3;6-7H,1-5H3;7H,4-6H2,1-3H3;1-3H,(H,13,14);1-4H,(H,12,13);3-5,10-11H,1-2H3;1-3H,9H2;8*1H4/t17-;13-;;;10-;;;;;;;;;;;;;;/m11..1............../s1
InChIKeyHKIJPLLUGQRGRP-KQTVWBGDSA-N
MW3822.12 g/mol
LogP37.60
Rot. Bonds27

About 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

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 (PubChem CID 158504773) has the molecular formula C144H192B2Br3Cl7I6N14O27 and a molecular weight of 3822.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID158504773
Molecular FormulaC144H192B2Br3Cl7I6N14O27
Molecular Weight3822.12 g/mol
Exact Mass3814.39
IUPAC Name3-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
SMILESC.C.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CCCC[C@@H]1CCO.CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1c(Br)cnc2cc(Cl)c(I)cc12.CCOC(=O)C(=CNc1ccc(I)c(Cl)c1)C(=O)OCC.CCOC(=O)c1c[nH]c2cc(Cl)c(I)cc2c1=O.CCOC=C(C(=O)OCC)C(=O)OCC.Cc1cc(C)cc(B(O)O)c1.Cn1cc(-c2cc3c(OCC[C@H]4CCCCN4C(=O)OC(C)(C)C)c(Br)cnc3cc2Cl)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1ccc(I)c(Cl)c1.O=c1c(Br)c[nH]c2cc(Cl)c(I)cc12.O=c1cc[nH]c2cc(Cl)c(I)cc12
InChIInChI=1S/C25H30BrClN4O3.C21H25BrClIN2O3.C14H15ClINO4.C12H9ClINO3.C12H23NO3.C10H17BN2O2.C10H16O5.C9H4BrClINO.C9H5ClINO.C8H11BO2.C6H5ClIN.8CH4/c1-25(2,3)34-24(32)31-9-6-5-7-17(31)8-10-33-23-19-11-18(16-13-29-30(4)15-16)21(27)12-22(19)28-14-20(23)26;1-21(2,3)29-20(27)26-8-5-4-6-13(26)7-9-28-19-14-10-17(24)16(23)11-18(14)25-12-15(19)22;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;1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;10-5-3-13-8-2-6(11)7(12)1-4(8)9(5)14;10-6-4-8-5(3-7(6)11)9(13)1-2-12-8;1-6-3-7(2)5-8(4-6)9(10)11;7-5-3-4(9)1-2-6(5)8;;;;;;;;/h11-15,17H,5-10H2,1-4H3;10-13H,4-9H2,1-3H3;5-8,17H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,15,16);10,14H,4-9H2,1-3H3;6-7H,1-5H3;7H,4-6H2,1-3H3;1-3H,(H,13,14);1-4H,(H,12,13);3-5,10-11H,1-2H3;1-3H,9H2;8*1H4/t17-;13-;;;10-;;;;;;;;;;;;;;/m11..1............../s1
InChIKeyHKIJPLLUGQRGRP-KQTVWBGDSA-N
XLogP37.60
TPSA525.01 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds27
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003822.12
LogP ≤ 537.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

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 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.C.C.CC(C)(C)OC(=O)N1CCCC[C@@H]1CCO.CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1c(Br)cnc2cc(Cl)c(I)cc12.CCOC(=O)C(=CNc1ccc(I)c(Cl)c1)C(=O)OCC.CCOC(=O)c1c[nH]c2cc(Cl)c(I)cc2c1=O.CCOC=C(C(=O)OCC)C(=O)OCC.Cc1cc(C)cc(B(O)O)c1.Cn1cc(-c2cc3c(OCC[C@H]4CCCCN4C(=O)OC(C)(C)C)c(Br)cnc3cc2Cl)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1ccc(I)c(Cl)c1.O=c1c(Br)c[nH]c2cc(Cl)c(I)cc12.O=c1cc[nH]c2cc(Cl)c(I)cc12.
What is the InChIKey of 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?
The InChIKey is HKIJPLLUGQRGRP-KQTVWBGDSA-N. The full InChI is InChI=1S/C25H30BrClN4O3.C21H25BrClIN2O3.C14H15ClINO4.C12H9ClINO3.C12H23NO3.C10H17BN2O2.C10H16O5.C9H4BrClINO.C9H5ClINO.C8H11BO2.C6H5ClIN.8CH4/c1-25(2,3)34-24(32)31-9-6-5-7-17(31)8-10-33-23-19-11-18(16-13-29-30(4)15-16)21(27)12-22(19)28-14-20(23)26;1-21(2,3)29-20(27)26-8-5-4-6-13(26)7-9-28-19-14-10-17(24)16(23)11-18(14)25-12-15(19)22;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;1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;10-5-3-13-8-2-6(11)7(12)1-4(8)9(5)14;10-6-4-8-5(3-7(6)11)9(13)1-2-12-8;1-6-3-7(2)5-8(4-6)9(10)11;7-5-3-4(9)1-2-6(5)8;;;;;;;;/h11-15,17H,5-10H2,1-4H3;10-13H,4-9H2,1-3H3;5-8,17H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,15,16);10,14H,4-9H2,1-3H3;6-7H,1-5H3;7H,4-6H2,1-3H3;1-3H,(H,13,14);1-4H,(H,12,13);3-5,10-11H,1-2H3;1-3H,9H2;8*1H4/t17-;13-;;;10-;;;;;;;;;;;;;;/m11..1............../s1.
What are the key properties of 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?
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 has a molecular weight of 3822.12 g/mol, XLogP of 37.60, 27 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158504773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).