magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide

C86H94Br5MgN7O17 — CID 159495769

About magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide

magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide (PubChem CID 159495769) has the molecular formula C86H94Br5MgN7O17 and a molecular weight of 1921.55 g/mol. Its IUPAC name is magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide.

Molecular Properties

• Compound Name: magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide
• PubChem CID: 159495769
• Molecular Formula: C86H94Br5MgN7O17
• Molecular Weight: 1921.55 g/mol
• Exact Mass: 1915.25
• IUPAC Name: magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide
• SMILES: CCOC(=O)c1cc(Br)c2c(c1)C=CC2.CCOC(=O)c1cc(Br)c2c(ccn2CCN2CCOCC2)c1.CCOC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1.O=C(O)c1cc(Br)c2c(c1)C=CC2.O=C(O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1.O=C(O)c1ccc([N+](=O)[O-])c(Br)c1.[Br-].[H][C-]=C.[Mg+2]
• InChI: InChI=1S/C20H26N2O3.C18H22N2O3.C17H21BrN2O3.C12H11BrO2.C10H7BrO2.C7H4BrNO4.C2H3.BrH.Mg/c1-2-25-20(23)17-13-16-5-6-22(8-7-21-9-11-24-12-10-21)19(16)18(14-17)15-3-4-15;21-18(22)15-11-14-3-4-20(6-5-19-7-9-23-10-8-19)17(14)16(12-15)13-1-2-13;1-2-23-17(21)14-11-13-3-4-20(16(13)15(18)12-14)6-5-19-7-9-22-10-8-19;1-2-15-12(14)9-6-8-4-3-5-10(8)11(13)7-9;11-9-5-7(10(12)13)4-6-2-1-3-8(6)9;8-5-3-4(7(10)11)1-2-6(5)9(12)13;1-2;;/h5-6,13-15H,2-4,7-12H2,1H3;3-4,11-13H,1-2,5-10H2,(H,21,22);3-4,11-12H,2,5-10H2,1H3;3-4,6-7H,2,5H2,1H3;1-2,4-5H,3H2,(H,12,13);1-3H,(H,10,11);1H,2H2;1H;/q;;;;;;-1;;+2/p-1
• InChIKey: QCLXNBYYGPXPPQ-UHFFFAOYSA-M
• XLogP: 13.69
• TPSA: 286.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1921.55
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide?

The IUPAC name of magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide (CID 159495769) is magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide.

What is the SMILES notation for magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide?

The canonical SMILES for magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide is CCOC(=O)c1cc(Br)c2c(c1)C=CC2.CCOC(=O)c1cc(Br)c2c(ccn2CCN2CCOCC2)c1.CCOC(=O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1.O=C(O)c1cc(Br)c2c(c1)C=CC2.O=C(O)c1cc(C2CC2)c2c(ccn2CCN2CCOCC2)c1.O=C(O)c1ccc([N+](=O)[O-])c(Br)c1.[Br-].[H][C-]=C.[Mg+2].

What is the InChIKey of magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide?

The InChIKey is QCLXNBYYGPXPPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H26N2O3.C18H22N2O3.C17H21BrN2O3.C12H11BrO2.C10H7BrO2.C7H4BrNO4.C2H3.BrH.Mg/c1-2-25-20(23)17-13-16-5-6-22(8-7-21-9-11-24-12-10-21)19(16)18(14-17)15-3-4-15;21-18(22)15-11-14-3-4-20(6-5-19-7-9-23-10-8-19)17(14)16(12-15)13-1-2-13;1-2-23-17(21)14-11-13-3-4-20(16(13)15(18)12-14)6-5-19-7-9-22-10-8-19;1-2-15-12(14)9-6-8-4-3-5-10(8)11(13)7-9;11-9-5-7(10(12)13)4-6-2-1-3-8(6)9;8-5-3-4(7(10)11)1-2-6(5)9(12)13;1-2;;/h5-6,13-15H,2-4,7-12H2,1H3;3-4,11-13H,1-2,5-10H2,(H,21,22);3-4,11-12H,2,5-10H2,1H3;3-4,6-7H,2,5H2,1H3;1-2,4-5H,3H2,(H,12,13);1-3H,(H,10,11);1H,2H2;1H;/q;;;;;;-1;;+2/p-1.

What are the key properties of magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide?

magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide has a molecular weight of 1921.55 g/mol, XLogP of 13.69, 21 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;7-bromo-1H-indene-5-carboxylic acid;3-bromo-4-nitrobenzoic acid;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethene;ethyl 7-bromo-1H-indene-5-carboxylate;ethyl 7-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;ethyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;bromide is sourced from PubChem (CID 159495769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).