magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide

C100H130BrMgN9O13 — CID 159832406

About magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide

magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide (PubChem CID 159832406) has the molecular formula C100H130BrMgN9O13 and a molecular weight of 1770.40 g/mol. Its IUPAC name is magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide.

Molecular Properties

• Compound Name: magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide
• PubChem CID: 159832406
• Molecular Formula: C100H130BrMgN9O13
• Molecular Weight: 1770.40 g/mol
• Exact Mass: 1767.88
• IUPAC Name: magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide
• SMILES: C1CCOC1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(OCCN2CCOCC2)cc1.CN(C)c1cc[c-]cc1.CN(C)c1ccc(C2(O)C(=O)Nc3ccccc32)cc1.CN(C)c1ccc(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1.O=C1Nc2ccccc2C1=O.OCCN1CCOCC1.[Br-].[Mg+2]
• InChI: InChI=1S/C32H39N3O3.C16H16N2O2.C16H25NO2.C10H14O.C8H5NO2.C8H10N.C6H13NO2.C4H8O.BrH.Mg/c1-31(2,3)24-12-15-29(38-21-18-35-16-19-37-20-17-35)27(22-24)32(23-10-13-25(14-11-23)34(4)5)26-8-6-7-9-28(26)33-30(32)36;1-18(2)12-9-7-11(8-10-12)16(20)13-5-3-4-6-14(13)17-15(16)19;1-16(2,3)14-4-6-15(7-5-14)19-13-10-17-8-11-18-12-9-17;1-10(2,3)8-4-6-9(11)7-5-8;10-7-5-3-1-2-4-6(5)9-8(7)11;1-9(2)8-6-4-3-5-7-8;8-4-1-7-2-5-9-6-3-7;1-2-4-5-3-1;;/h6-15,22H,16-21H2,1-5H3,(H,33,36);3-10,20H,1-2H3,(H,17,19);4-7H,8-13H2,1-3H3;4-7,11H,1-3H3;1-4H,(H,9,10,11);4-7H,1-2H3;8H,1-6H2;1-4H2;1H;/q;;;;;-1;;;;+2/p-1
• InChIKey: DMPARWYOTXZPTA-UHFFFAOYSA-M
• XLogP: 11.48
• TPSA: 239.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1770.40
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide?

The IUPAC name of magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide (CID 159832406) is magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide.

What is the SMILES notation for magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide?

The canonical SMILES for magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide is C1CCOC1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(OCCN2CCOCC2)cc1.CN(C)c1cc[c-]cc1.CN(C)c1ccc(C2(O)C(=O)Nc3ccccc32)cc1.CN(C)c1ccc(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1.O=C1Nc2ccccc2C1=O.OCCN1CCOCC1.[Br-].[Mg+2].

What is the InChIKey of magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide?

The InChIKey is DMPARWYOTXZPTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H39N3O3.C16H16N2O2.C16H25NO2.C10H14O.C8H5NO2.C8H10N.C6H13NO2.C4H8O.BrH.Mg/c1-31(2,3)24-12-15-29(38-21-18-35-16-19-37-20-17-35)27(22-24)32(23-10-13-25(14-11-23)34(4)5)26-8-6-7-9-28(26)33-30(32)36;1-18(2)12-9-7-11(8-10-12)16(20)13-5-3-4-6-14(13)17-15(16)19;1-16(2,3)14-4-6-15(7-5-14)19-13-10-17-8-11-18-12-9-17;1-10(2,3)8-4-6-9(11)7-5-8;10-7-5-3-1-2-4-6(5)9-8(7)11;1-9(2)8-6-4-3-5-7-8;8-4-1-7-2-5-9-6-3-7;1-2-4-5-3-1;;/h6-15,22H,16-21H2,1-5H3,(H,33,36);3-10,20H,1-2H3,(H,17,19);4-7H,8-13H2,1-3H3;4-7,11H,1-3H3;1-4H,(H,9,10,11);4-7H,1-2H3;8H,1-6H2;1-4H2;1H;/q;;;;;-1;;;;+2/p-1.

What are the key properties of magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide?

magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide has a molecular weight of 1770.40 g/mol, XLogP of 11.48, 16 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide is sourced from PubChem (CID 159832406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).