magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide

C99H90BrKMgN10O11 — CID 157465810

About magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide

magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide (PubChem CID 157465810) has the molecular formula C99H90BrKMgN10O11 and a molecular weight of 1739.17 g/mol. Its IUPAC name is magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide.

Molecular Properties

• Compound Name: magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide
• PubChem CID: 157465810
• Molecular Formula: C99H90BrKMgN10O11
• Molecular Weight: 1739.17 g/mol
• Exact Mass: 1736.55
• IUPAC Name: magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide
• SMILES: CC[C@H](NC(=O)c1c(Cc2ccncc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CON(C)C(=O)CCc1ccncc1.O=C(CCc1ccncc1)c1ccccc1.O=C(O)CCc1ccncc1.O=C(O)c1c(Cc2ccncc2)c(-c2ccccc2)nc2ccccc12.O=C1Nc2ccccc2C1=O.[Br-].[K+].[Mg+2].[OH-].[c-]1ccccc1
• InChI: InChI=1S/C31H27N3O.C22H16N2O2.C14H13NO.C10H14N2O2.C8H5NO2.C8H9NO2.C6H5.BrH.K.Mg.H2O/c1-2-27(23-11-5-3-6-12-23)34-31(35)29-25-15-9-10-16-28(25)33-30(24-13-7-4-8-14-24)26(29)21-22-17-19-32-20-18-22;25-22(26)20-17-8-4-5-9-19(17)24-21(16-6-2-1-3-7-16)18(20)14-15-10-12-23-13-11-15;16-14(13-4-2-1-3-5-13)7-6-12-8-10-15-11-9-12;1-12(14-2)10(13)4-3-9-5-7-11-8-6-9;10-7-5-3-1-2-4-6(5)9-8(7)11;10-8(11)2-1-7-3-5-9-6-4-7;1-2-4-6-5-3-1;;;;/h3-20,27H,2,21H2,1H3,(H,34,35);1-13H,14H2,(H,25,26);1-5,8-11H,6-7H2;5-8H,3-4H2,1-2H3;1-4H,(H,9,10,11);3-6H,1-2H2,(H,10,11);1-5H;1H;;;1H2/q;;;;;;-1;;+1;+2;/p-2/t27-;;;;;;;;;;/m0........../s1
• InChIKey: NVBWGQGSMXQZIK-QAMFXMKTSA-L
• XLogP: 12.14
• TPSA: 316.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1739.17
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide?

The IUPAC name of magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide (CID 157465810) is magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide.

What is the SMILES notation for magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide?

The canonical SMILES for magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide is CC[C@H](NC(=O)c1c(Cc2ccncc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1.CON(C)C(=O)CCc1ccncc1.O=C(CCc1ccncc1)c1ccccc1.O=C(O)CCc1ccncc1.O=C(O)c1c(Cc2ccncc2)c(-c2ccccc2)nc2ccccc12.O=C1Nc2ccccc2C1=O.[Br-].[K+].[Mg+2].[OH-].[c-]1ccccc1.

What is the InChIKey of magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide?

The InChIKey is NVBWGQGSMXQZIK-QAMFXMKTSA-L. The full InChI is InChI=1S/C31H27N3O.C22H16N2O2.C14H13NO.C10H14N2O2.C8H5NO2.C8H9NO2.C6H5.BrH.K.Mg.H2O/c1-2-27(23-11-5-3-6-12-23)34-31(35)29-25-15-9-10-16-28(25)33-30(24-13-7-4-8-14-24)26(29)21-22-17-19-32-20-18-22;25-22(26)20-17-8-4-5-9-19(17)24-21(16-6-2-1-3-7-16)18(20)14-15-10-12-23-13-11-15;16-14(13-4-2-1-3-5-13)7-6-12-8-10-15-11-9-12;1-12(14-2)10(13)4-3-9-5-7-11-8-6-9;10-7-5-3-1-2-4-6(5)9-8(7)11;10-8(11)2-1-7-3-5-9-6-4-7;1-2-4-6-5-3-1;;;;/h3-20,27H,2,21H2,1H3,(H,34,35);1-13H,14H2,(H,25,26);1-5,8-11H,6-7H2;5-8H,3-4H2,1-2H3;1-4H,(H,9,10,11);3-6H,1-2H2,(H,10,11);1-5H;1H;;;1H2/q;;;;;;-1;;+1;+2;/p-2/t27-;;;;;;;;;;/m0........../s1.

What are the key properties of magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide?

magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide has a molecular weight of 1739.17 g/mol, XLogP of 12.14, 22 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;potassium;benzene;1H-indole-2,3-dione;N-methoxy-N-methyl-3-pyridin-4-ylpropanamide;2-phenyl-N-[(1S)-1-phenylpropyl]-3-(pyridin-4-ylmethyl)quinoline-4-carboxamide;2-phenyl-3-(pyridin-4-ylmethyl)quinoline-4-carboxylic acid;1-phenyl-3-pyridin-4-ylpropan-1-one;3-pyridin-4-ylpropanoic acid;bromide;hydroxide is sourced from PubChem (CID 157465810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).