magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride

C52H52Cl2F2MgN10O4 — CID 158127035

About magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride

magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride (PubChem CID 158127035) has the molecular formula C52H52Cl2F2MgN10O4 and a molecular weight of 1014.26 g/mol. Its IUPAC name is magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride.

Molecular Properties

• Compound Name: magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride
• PubChem CID: 158127035
• Molecular Formula: C52H52Cl2F2MgN10O4
• Molecular Weight: 1014.26 g/mol
• Exact Mass: 1012.34
• IUPAC Name: magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride
• SMILES: O=C(NCCCc1ncc[nH]1)c1ccc2nc(C3CCOCC3)c(-c3ccc(F)cc3)nc2c1.O=C(NCCCc1ncc[nH]1)c1ccc2nc(Cl)c(-c3ccc(F)cc3)nc2c1.[CH-]1CCOCC1.[Cl-].[Mg+2]
• InChI: InChI=1S/C26H26FN5O2.C21H17ClFN5O.C5H9O.ClH.Mg/c27-20-6-3-17(4-7-20)24-25(18-9-14-34-15-10-18)31-21-8-5-19(16-22(21)32-24)26(33)30-11-1-2-23-28-12-13-29-23;22-20-19(13-3-6-15(23)7-4-13)27-17-12-14(5-8-16(17)28-20)21(29)26-9-1-2-18-24-10-11-25-18;1-2-4-6-5-3-1;;/h3-8,12-13,16,18H,1-2,9-11,14-15H2,(H,28,29)(H,30,33);3-8,10-12H,1-2,9H2,(H,24,25)(H,26,29);1H,2-5H2;1H;/q;;-1;;+2/p-1
• InChIKey: DJOIWZCERAKPBZ-UHFFFAOYSA-M
• XLogP: 6.21
• TPSA: 185.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1014.26
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride?

The IUPAC name of magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride (CID 158127035) is magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride.

What is the SMILES notation for magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride?

The canonical SMILES for magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride is O=C(NCCCc1ncc[nH]1)c1ccc2nc(C3CCOCC3)c(-c3ccc(F)cc3)nc2c1.O=C(NCCCc1ncc[nH]1)c1ccc2nc(Cl)c(-c3ccc(F)cc3)nc2c1.[CH-]1CCOCC1.[Cl-].[Mg+2].

What is the InChIKey of magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride?

The InChIKey is DJOIWZCERAKPBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H26FN5O2.C21H17ClFN5O.C5H9O.ClH.Mg/c27-20-6-3-17(4-7-20)24-25(18-9-14-34-15-10-18)31-21-8-5-19(16-22(21)32-24)26(33)30-11-1-2-23-28-12-13-29-23;22-20-19(13-3-6-15(23)7-4-13)27-17-12-14(5-8-16(17)28-20)21(29)26-9-1-2-18-24-10-11-25-18;1-2-4-6-5-3-1;;/h3-8,12-13,16,18H,1-2,9-11,14-15H2,(H,28,29)(H,30,33);3-8,10-12H,1-2,9H2,(H,24,25)(H,26,29);1H,2-5H2;1H;/q;;-1;;+2/p-1.

What are the key properties of magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride?

magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride has a molecular weight of 1014.26 g/mol, XLogP of 6.21, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;2-chloro-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide;3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(oxan-4-yl)quinoxaline-6-carboxamide;3,4,5,6-tetrahydro-2H-pyran-4-ide;chloride is sourced from PubChem (CID 158127035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).