potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione

C84H48Br2Cl4KN15O14 — CID 161336054

IUPACpotassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione
SMILESO=C1[N-]C(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1Cc1nc2c([N+](=O)[O-])cccc2nc1-c1ccccc1Cl.O=C1c2ccccc2C(=O)N1Cc1nc2cccc([N+](=O)[O-])c2nc1-c1ccccc1Cl.O=[N+]([O-])c1cccc2nc(-c3ccccc3Cl)c(CBr)nc12.O=[N+]([O-])c1cccc2nc(CBr)c(-c3ccccc3Cl)nc12.[K+]
InChIInChI=1S/2C23H13ClN4O4.2C15H9BrClN3O2.C8H5NO2.K/c24-16-9-4-3-8-15(16)20-18(26-21-17(25-20)10-5-11-19(21)28(31)32)12-27-22(29)13-6-1-2-7-14(13)23(27)30;24-16-9-4-3-8-15(16)20-18(25-17-10-5-11-19(28(31)32)21(17)26-20)12-27-22(29)13-6-1-2-7-14(13)23(27)30;16-8-12-14(9-4-1-2-5-10(9)17)18-11-6-3-7-13(20(21)22)15(11)19-12;16-8-12-14(9-4-1-2-5-10(9)17)19-15-11(18-12)6-3-7-13(15)20(21)22;10-7-5-3-1-2-4-6(5)8(11)9-7;/h2*1-11H,12H2;2*1-7H,8H2;1-4H,(H,9,10,11);/q;;;;;+1/p-1
InChIKeyVMAXSGPNLSKZRV-UHFFFAOYSA-M
MW1832.12 g/mol
LogP17.17
Rot. Bonds14

About potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione

potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione (PubChem CID 161336054) has the molecular formula C84H48Br2Cl4KN15O14 and a molecular weight of 1832.12 g/mol. Its IUPAC name is potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione.

Molecular Properties

Compound Namepotassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione
PubChem CID161336054
Molecular FormulaC84H48Br2Cl4KN15O14
Molecular Weight1832.12 g/mol
Exact Mass1827.03
IUPAC Namepotassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione
SMILESO=C1[N-]C(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1Cc1nc2c([N+](=O)[O-])cccc2nc1-c1ccccc1Cl.O=C1c2ccccc2C(=O)N1Cc1nc2cccc([N+](=O)[O-])c2nc1-c1ccccc1Cl.O=[N+]([O-])c1cccc2nc(-c3ccccc3Cl)c(CBr)nc12.O=[N+]([O-])c1cccc2nc(CBr)c(-c3ccccc3Cl)nc12.[K+]
InChIInChI=1S/2C23H13ClN4O4.2C15H9BrClN3O2.C8H5NO2.K/c24-16-9-4-3-8-15(16)20-18(26-21-17(25-20)10-5-11-19(21)28(31)32)12-27-22(29)13-6-1-2-7-14(13)23(27)30;24-16-9-4-3-8-15(16)20-18(25-17-10-5-11-19(28(31)32)21(17)26-20)12-27-22(29)13-6-1-2-7-14(13)23(27)30;16-8-12-14(9-4-1-2-5-10(9)17)18-11-6-3-7-13(20(21)22)15(11)19-12;16-8-12-14(9-4-1-2-5-10(9)17)19-15-11(18-12)6-3-7-13(15)20(21)22;10-7-5-3-1-2-4-6(5)8(11)9-7;/h2*1-11H,12H2;2*1-7H,8H2;1-4H,(H,9,10,11);/q;;;;;+1/p-1
InChIKeyVMAXSGPNLSKZRV-UHFFFAOYSA-M
XLogP17.17
TPSA398.68 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001832.12
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione?
The IUPAC name of potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione (CID 161336054) is potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione.
What is the SMILES notation for potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione?
The canonical SMILES for potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione is O=C1[N-]C(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1Cc1nc2c([N+](=O)[O-])cccc2nc1-c1ccccc1Cl.O=C1c2ccccc2C(=O)N1Cc1nc2cccc([N+](=O)[O-])c2nc1-c1ccccc1Cl.O=[N+]([O-])c1cccc2nc(-c3ccccc3Cl)c(CBr)nc12.O=[N+]([O-])c1cccc2nc(CBr)c(-c3ccccc3Cl)nc12.[K+].
What is the InChIKey of potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione?
The InChIKey is VMAXSGPNLSKZRV-UHFFFAOYSA-M. The full InChI is InChI=1S/2C23H13ClN4O4.2C15H9BrClN3O2.C8H5NO2.K/c24-16-9-4-3-8-15(16)20-18(26-21-17(25-20)10-5-11-19(21)28(31)32)12-27-22(29)13-6-1-2-7-14(13)23(27)30;24-16-9-4-3-8-15(16)20-18(25-17-10-5-11-19(28(31)32)21(17)26-20)12-27-22(29)13-6-1-2-7-14(13)23(27)30;16-8-12-14(9-4-1-2-5-10(9)17)18-11-6-3-7-13(20(21)22)15(11)19-12;16-8-12-14(9-4-1-2-5-10(9)17)19-15-11(18-12)6-3-7-13(15)20(21)22;10-7-5-3-1-2-4-6(5)8(11)9-7;/h2*1-11H,12H2;2*1-7H,8H2;1-4H,(H,9,10,11);/q;;;;;+1/p-1.
What are the key properties of potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione?
potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione has a molecular weight of 1832.12 g/mol, XLogP of 17.17, 14 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-(bromomethyl)-3-(2-chlorophenyl)-5-nitroquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-nitroquinoxaline;2-[[3-(2-chlorophenyl)-5-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;2-[[3-(2-chlorophenyl)-8-nitroquinoxalin-2-yl]methyl]isoindole-1,3-dione;isoindol-2-ide-1,3-dione is sourced from PubChem (CID 161336054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).