3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline

C60H40BrCl5F3N13 — CID 158246545

About 3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline

3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline (PubChem CID 158246545) has the molecular formula C60H40BrCl5F3N13 and a molecular weight of 1257.23 g/mol. Its IUPAC name is 3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline.

Molecular Properties

• Compound Name: 3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline
• PubChem CID: 158246545
• Molecular Formula: C60H40BrCl5F3N13
• Molecular Weight: 1257.23 g/mol
• Exact Mass: 1253.11
• IUPAC Name: 3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline
• SMILES: Cc1nc2c(Cl)cccc2nc1-c1ccc(F)cc1.Cc1nc2c(Cl)cccc2nc1Cl.Cc1nn(Cc2nc3c(Cl)cccc3nc2-c2ccc(F)cc2)c2ncnc(N)c12.Fc1ccc(-c2nc3cccc(Cl)c3nc2CBr)cc1
• InChI: InChI=1S/C21H15ClFN7.C15H9BrClFN2.C15H10ClFN2.C9H6Cl2N2/c1-11-17-20(24)25-10-26-21(17)30(29-11)9-16-18(12-5-7-13(23)8-6-12)27-15-4-2-3-14(22)19(15)28-16;16-8-13-14(9-4-6-10(18)7-5-9)19-12-3-1-2-11(17)15(12)20-13;1-9-14(10-5-7-11(17)8-6-10)19-13-4-2-3-12(16)15(13)18-9;1-5-9(11)13-7-4-2-3-6(10)8(7)12-5/h2-8,10H,9H2,1H3,(H2,24,25,26);1-7H,8H2;2-8H,1H3;2-4H,1H3
• InChIKey: GGEKZWZLYIJXTK-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 172.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1257.23
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline?

The IUPAC name of 3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline (CID 158246545) is 3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline.

What is the SMILES notation for 3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline?

The canonical SMILES for 3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline is Cc1nc2c(Cl)cccc2nc1-c1ccc(F)cc1.Cc1nc2c(Cl)cccc2nc1Cl.Cc1nn(Cc2nc3c(Cl)cccc3nc2-c2ccc(F)cc2)c2ncnc(N)c12.Fc1ccc(-c2nc3cccc(Cl)c3nc2CBr)cc1.

What is the InChIKey of 3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline?

The InChIKey is GGEKZWZLYIJXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN7.C15H9BrClFN2.C15H10ClFN2.C9H6Cl2N2/c1-11-17-20(24)25-10-26-21(17)30(29-11)9-16-18(12-5-7-13(23)8-6-12)27-15-4-2-3-14(22)19(15)28-16;16-8-13-14(9-4-6-10(18)7-5-9)19-12-3-1-2-11(17)15(12)20-13;1-9-14(10-5-7-11(17)8-6-10)19-13-4-2-3-12(16)15(13)18-9;1-5-9(11)13-7-4-2-3-6(10)8(7)12-5/h2-8,10H,9H2,1H3,(H2,24,25,26);1-7H,8H2;2-8H,1H3;2-4H,1H3.

What are the key properties of 3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline?

3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline has a molecular weight of 1257.23 g/mol, XLogP of 16.79, 6 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(bromomethyl)-5-chloro-2-(4-fluorophenyl)quinoxaline;5-chloro-2-(4-fluorophenyl)-3-methylquinoxaline;1-[[8-chloro-3-(4-fluorophenyl)quinoxalin-2-yl]methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,5-dichloro-3-methylquinoxaline is sourced from PubChem (CID 158246545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).