2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C77H52Br2Cl8I3N23 — CID 158459164

About 2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine

2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158459164) has the molecular formula C77H52Br2Cl8I3N23 and a molecular weight of 2123.57 g/mol. Its IUPAC name is 2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158459164
• Molecular Formula: C77H52Br2Cl8I3N23
• Molecular Weight: 2123.57 g/mol
• Exact Mass: 2116.78
• IUPAC Name: 2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC.Clc1ccccc1-c1nc2c(Cl)cccc2nc1CBr.Clc1ccccc1-c1nc2cccc(Cl)c2nc1CBr.Nc1ncnc2c1c(I)nn2Cc1nc2c(Cl)cccc2nc1-c1ccccc1Cl.Nc1ncnc2c1c(I)nn2Cc1nc2cccc(Cl)c2nc1-c1ccccc1Cl.Nc1ncnc2n[nH]c(I)c12
• InChI: InChI=1S/2C20H12Cl2IN7.2C15H9BrCl2N2.C5H4IN5.C2H6/c21-11-5-2-1-4-10(11)16-14(28-17-12(22)6-3-7-13(17)27-16)8-30-20-15(18(23)29-30)19(24)25-9-26-20;21-11-5-2-1-4-10(11)16-14(27-13-7-3-6-12(22)17(13)28-16)8-30-20-15(18(23)29-30)19(24)25-9-26-20;16-8-13-14(9-4-1-2-5-10(9)17)19-12-7-3-6-11(18)15(12)20-13;16-8-13-14(9-4-1-2-5-10(9)17)20-15-11(18)6-3-7-12(15)19-13;6-3-2-4(7)8-1-9-5(2)11-10-3;1-2/h2*1-7,9H,8H2,(H2,24,25,26);2*1-7H,8H2;1H,(H3,7,8,9,10,11);1-2H3
• InChIKey: HEYLBBDIQRIVPF-UHFFFAOYSA-N
• XLogP: 22.52
• TPSA: 322.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.57
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 158459164) is 2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine is CC.Clc1ccccc1-c1nc2c(Cl)cccc2nc1CBr.Clc1ccccc1-c1nc2cccc(Cl)c2nc1CBr.Nc1ncnc2c1c(I)nn2Cc1nc2c(Cl)cccc2nc1-c1ccccc1Cl.Nc1ncnc2c1c(I)nn2Cc1nc2cccc(Cl)c2nc1-c1ccccc1Cl.Nc1ncnc2n[nH]c(I)c12.

What is the InChIKey of 2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is HEYLBBDIQRIVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H12Cl2IN7.2C15H9BrCl2N2.C5H4IN5.C2H6/c21-11-5-2-1-4-10(11)16-14(28-17-12(22)6-3-7-13(17)27-16)8-30-20-15(18(23)29-30)19(24)25-9-26-20;21-11-5-2-1-4-10(11)16-14(27-13-7-3-6-12(22)17(13)28-16)8-30-20-15(18(23)29-30)19(24)25-9-26-20;16-8-13-14(9-4-1-2-5-10(9)17)19-12-7-3-6-11(18)15(12)20-13;16-8-13-14(9-4-1-2-5-10(9)17)20-15-11(18)6-3-7-12(15)19-13;6-3-2-4(7)8-1-9-5(2)11-10-3;1-2/h2*1-7,9H,8H2,(H2,24,25,26);2*1-7H,8H2;1H,(H3,7,8,9,10,11);1-2H3.

What are the key properties of 2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine?

2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2123.57 g/mol, XLogP of 22.52, 10 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(bromomethyl)-5-chloro-3-(2-chlorophenyl)quinoxaline;3-(bromomethyl)-5-chloro-2-(2-chlorophenyl)quinoxaline;1-[[5-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[8-chloro-3-(2-chlorophenyl)quinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;ethane;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158459164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).