magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride

C106H105B2Br2Cl6MgN21O17 — CID 161477362

IUPACmagnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride
SMILESCC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2ccc(C)o2)nc1N.CC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2ccc(C)o2)nc1N=CN(C)C.CC(=O)c1cc(-c2ccc3ncccc3c2)c(Cl)nc1N.CC(=O)c1cc(Br)c(Cl)nc1N.CC(=O)c1ccc(Cl)nc1N.CNOC.CON(C)C(=O)c1ccc(Cl)nc1N.Cc1ccc(B(O)O)o1.Cl.Nc1nc(Cl)ccc1C(=O)O.OB(O)c1ccc2ncccc2c1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C24H22N4O2.C21H17N3O2.C16H12ClN3O.C9H8BNO2.C8H10ClN3O2.C7H6BrClN2O.C7H7ClN2O.C6H5ClN2O2.C5H7BO3.C2H7NO.CH3.BrH.ClH.Mg/c1-15-7-10-22(30-15)23-20(17-8-9-21-18(12-17)6-5-11-25-21)13-19(16(2)29)24(27-23)26-14-28(3)4;1-12-5-8-19(26-12)20-17(11-16(13(2)25)21(22)24-20)14-6-7-18-15(10-14)4-3-9-23-18;1-9(21)12-8-13(15(17)20-16(12)18)10-4-5-14-11(7-10)3-2-6-19-14;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-12(14-2)8(13)5-3-4-6(9)11-7(5)10;1-3(12)4-2-5(8)6(9)11-7(4)10;1-4(11)5-2-3-6(8)10-7(5)9;7-4-2-1-3(6(10)11)5(8)9-4;1-4-2-3-5(9-4)6(7)8;1-3-4-2;;;;/h5-14H,1-4H3;3-11H,1-2H3,(H2,22,24);2-8H,1H3,(H2,18,20);1-6,12-13H;3-4H,1-2H3,(H2,10,11);2H,1H3,(H2,10,11);2-3H,1H3,(H2,9,10);1-2H,(H2,8,9)(H,10,11);2-3,7-8H,1H3;3H,1-2H3;1H3;2*1H;/q;;;;;;;;;;-1;;;+2/p-1
InChIKeyNSHNGERPDDCJRV-UHFFFAOYSA-M
MW2363.59 g/mol
LogP15.89
Rot. Bonds18

About magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride

magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride (PubChem CID 161477362) has the molecular formula C106H105B2Br2Cl6MgN21O17 and a molecular weight of 2363.59 g/mol. Its IUPAC name is magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride.

Molecular Properties

Compound Namemagnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride
PubChem CID161477362
Molecular FormulaC106H105B2Br2Cl6MgN21O17
Molecular Weight2363.59 g/mol
Exact Mass2357.45
IUPAC Namemagnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride
SMILESCC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2ccc(C)o2)nc1N.CC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2ccc(C)o2)nc1N=CN(C)C.CC(=O)c1cc(-c2ccc3ncccc3c2)c(Cl)nc1N.CC(=O)c1cc(Br)c(Cl)nc1N.CC(=O)c1ccc(Cl)nc1N.CNOC.CON(C)C(=O)c1ccc(Cl)nc1N.Cc1ccc(B(O)O)o1.Cl.Nc1nc(Cl)ccc1C(=O)O.OB(O)c1ccc2ncccc2c1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C24H22N4O2.C21H17N3O2.C16H12ClN3O.C9H8BNO2.C8H10ClN3O2.C7H6BrClN2O.C7H7ClN2O.C6H5ClN2O2.C5H7BO3.C2H7NO.CH3.BrH.ClH.Mg/c1-15-7-10-22(30-15)23-20(17-8-9-21-18(12-17)6-5-11-25-21)13-19(16(2)29)24(27-23)26-14-28(3)4;1-12-5-8-19(26-12)20-17(11-16(13(2)25)21(22)24-20)14-6-7-18-15(10-14)4-3-9-23-18;1-9(21)12-8-13(15(17)20-16(12)18)10-4-5-14-11(7-10)3-2-6-19-14;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-12(14-2)8(13)5-3-4-6(9)11-7(5)10;1-3(12)4-2-5(8)6(9)11-7(4)10;1-4(11)5-2-3-6(8)10-7(5)9;7-4-2-1-3(6(10)11)5(8)9-4;1-4-2-3-5(9-4)6(7)8;1-3-4-2;;;;/h5-14H,1-4H3;3-11H,1-2H3,(H2,22,24);2-8H,1H3,(H2,18,20);1-6,12-13H;3-4H,1-2H3,(H2,10,11);2H,1H3,(H2,10,11);2-3H,1H3,(H2,9,10);1-2H,(H2,8,9)(H,10,11);2-3,7-8H,1H3;3H,1-2H3;1H3;2*1H;/q;;;;;;;;;;-1;;;+2/p-1
InChIKeyNSHNGERPDDCJRV-UHFFFAOYSA-M
XLogP15.89
TPSA607.30 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002363.59
LogP ≤ 515.89
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid
CID 159293171
3-Bromo-8-(4-isocyanophenyl)-4-methoxyquinoline;4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-1-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-2-one;4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-2-one;methyl 5-chloropyridine-2-carboxylate;methyl 6-(3-oxopiperazin-1-yl)pyridine-3-carboxylate;piperazin-2-one
CID 161932257

Frequently Asked Questions

What is the IUPAC name of magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride?
The IUPAC name of magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride (CID 161477362) is magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride.
What is the SMILES notation for magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride?
The canonical SMILES for magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride is CC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2ccc(C)o2)nc1N.CC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2ccc(C)o2)nc1N=CN(C)C.CC(=O)c1cc(-c2ccc3ncccc3c2)c(Cl)nc1N.CC(=O)c1cc(Br)c(Cl)nc1N.CC(=O)c1ccc(Cl)nc1N.CNOC.CON(C)C(=O)c1ccc(Cl)nc1N.Cc1ccc(B(O)O)o1.Cl.Nc1nc(Cl)ccc1C(=O)O.OB(O)c1ccc2ncccc2c1.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride?
The InChIKey is NSHNGERPDDCJRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H22N4O2.C21H17N3O2.C16H12ClN3O.C9H8BNO2.C8H10ClN3O2.C7H6BrClN2O.C7H7ClN2O.C6H5ClN2O2.C5H7BO3.C2H7NO.CH3.BrH.ClH.Mg/c1-15-7-10-22(30-15)23-20(17-8-9-21-18(12-17)6-5-11-25-21)13-19(16(2)29)24(27-23)26-14-28(3)4;1-12-5-8-19(26-12)20-17(11-16(13(2)25)21(22)24-20)14-6-7-18-15(10-14)4-3-9-23-18;1-9(21)12-8-13(15(17)20-16(12)18)10-4-5-14-11(7-10)3-2-6-19-14;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-12(14-2)8(13)5-3-4-6(9)11-7(5)10;1-3(12)4-2-5(8)6(9)11-7(4)10;1-4(11)5-2-3-6(8)10-7(5)9;7-4-2-1-3(6(10)11)5(8)9-4;1-4-2-3-5(9-4)6(7)8;1-3-4-2;;;;/h5-14H,1-4H3;3-11H,1-2H3,(H2,22,24);2-8H,1H3,(H2,18,20);1-6,12-13H;3-4H,1-2H3,(H2,10,11);2H,1H3,(H2,10,11);2-3H,1H3,(H2,9,10);1-2H,(H2,8,9)(H,10,11);2-3,7-8H,1H3;3H,1-2H3;1H3;2*1H;/q;;;;;;;;;;-1;;;+2/p-1.
What are the key properties of magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride?
magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride has a molecular weight of 2363.59 g/mol, XLogP of 15.89, 18 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide;1-(2-amino-5-bromo-6-chloro-3-pyridinyl)ethanone;2-amino-6-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-amino-6-chloropyridine-3-carboxylic acid;1-(2-amino-6-chloro-3-pyridinyl)ethanone;1-(2-amino-6-chloro-5-quinolin-6-yl-3-pyridinyl)ethanone;1-[2-amino-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-3-pyridinyl]ethanone;carbanide;N-methoxymethanamine;(5-methylfuran-2-yl)boronic acid;quinolin-6-ylboronic acid;bromide;hydrochloride is sourced from PubChem (CID 161477362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).