About sodium;2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylic acid;methanol;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylate;(3S)-3-methyl-1-pyridin-2-ylpiperazine;hydroxide
sodium;2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylic acid;methanol;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylate;(3S)-3-methyl-1-pyridin-2-ylpiperazine;hydroxide (PubChem CID 159585968) has the molecular formula C78H76ClF3N15NaO8
and a molecular weight of 1467.00 g/mol. Its IUPAC name is sodium;2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylic acid;methanol;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylate;(3S)-3-methyl-1-pyridin-2-ylpiperazine;hydroxide.
Analyze sodium;2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylic acid;methanol;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylate;(3S)-3-methyl-1-pyridin-2-ylpiperazine;hydroxide with MolForge
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What is the IUPAC name of sodium;2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylic acid;methanol;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylate;(3S)-3-methyl-1-pyridin-2-ylpiperazine;hydroxide?
The IUPAC name of sodium;2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylic acid;methanol;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylate;(3S)-3-methyl-1-pyridin-2-ylpiperazine;hydroxide (CID 159585968) is sodium;2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylic acid;methanol;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylate;(3S)-3-methyl-1-pyridin-2-ylpiperazine;hydroxide.
What is the SMILES notation for sodium;2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylic acid;methanol;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylate;(3S)-3-methyl-1-pyridin-2-ylpiperazine;hydroxide?
The canonical SMILES for sodium;2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylic acid;methanol;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylate;(3S)-3-methyl-1-pyridin-2-ylpiperazine;hydroxide is CO.COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1.COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCN(c4ccccn4)C[C@@H]3C)nc2c1.C[C@H]1CN(c2ccccn2)CCN1.C[C@H]1CN(c2ccccn2)CCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1.[Na+].[OH-].
What is the InChIKey of sodium;2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylic acid;methanol;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylate;(3S)-3-methyl-1-pyridin-2-ylpiperazine;hydroxide?
The InChIKey is MJPRTEDDODXJKL-WMCZGWPNSA-M. The full InChI is InChI=1S/C26H24FN5O2.C25H22FN5O2.C16H10ClFN2O2.C10H15N3.CH4O.Na.H2O/c1-17-16-31(23-5-3-4-12-28-23)13-14-32(17)25-24(18-6-9-20(27)10-7-18)29-21-11-8-19(26(33)34-2)15-22(21)30-25;1-16-15-30(22-4-2-3-11-27-22)12-13-31(16)24-23(17-5-8-19(26)9-6-17)28-20-10-7-18(25(32)33)14-21(20)29-24;1-22-16(21)10-4-7-12-13(8-10)20-15(17)14(19-12)9-2-5-11(18)6-3-9;1-9-8-13(7-6-11-9)10-4-2-3-5-12-10;1-2;;/h3-12,15,17H,13-14,16H2,1-2H3;2-11,14,16H,12-13,15H2,1H3,(H,32,33);2-8H,1H3;2-5,9,11H,6-8H2,1H3;2H,1H3;;1H2/q;;;;;+1;/p-1/t17-;16-;;9-;;;/m00.0.../s1.
What are the key properties of sodium;2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylic acid;methanol;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylate;(3S)-3-methyl-1-pyridin-2-ylpiperazine;hydroxide?
sodium;2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylic acid;methanol;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylate;(3S)-3-methyl-1-pyridin-2-ylpiperazine;hydroxide has a molecular weight of 1467.00 g/mol, XLogP of 9.77, 11 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylic acid;methanol;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 2-(4-fluorophenyl)-3-[(2S)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]quinoxaline-6-carboxylate;(3S)-3-methyl-1-pyridin-2-ylpiperazine;hydroxide is sourced from PubChem (CID 159585968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).