2-(bromomethyl)-3-(2-chlorophenyl)-5-methylquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-methylquinoxaline;1-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine;methane

C81H66Br2Cl4I3N23 — CID 157459940

About 2-(bromomethyl)-3-(2-chlorophenyl)-5-methylquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-methylquinoxaline;1-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine;methane

2-(bromomethyl)-3-(2-chlorophenyl)-5-methylquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-methylquinoxaline;1-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine;methane (PubChem CID 157459940) has the molecular formula C81H66Br2Cl4I3N23 and a molecular weight of 2043.91 g/mol. Its IUPAC name is 2-(bromomethyl)-3-(2-chlorophenyl)-5-methylquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-methylquinoxaline;1-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine;methane.

Molecular Properties

• Compound Name: 2-(bromomethyl)-3-(2-chlorophenyl)-5-methylquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-methylquinoxaline;1-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine;methane
• PubChem CID: 157459940
• Molecular Formula: C81H66Br2Cl4I3N23
• Molecular Weight: 2043.91 g/mol
• Exact Mass: 2039.01
• IUPAC Name: 2-(bromomethyl)-3-(2-chlorophenyl)-5-methylquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-methylquinoxaline;1-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine;methane
• SMILES: C.C.Cc1cccc2nc(-c3ccccc3Cl)c(CBr)nc12.Cc1cccc2nc(-c3ccccc3Cl)c(Cn3nc(I)c4c(N)ncnc43)nc12.Cc1cccc2nc(CBr)c(-c3ccccc3Cl)nc12.Cc1cccc2nc(Cn3nc(I)c4c(N)ncnc43)c(-c3ccccc3Cl)nc12.Nc1ncnc2n[nH]c(I)c12
• InChI: InChI=1S/2C21H15ClIN7.2C16H12BrClN2.C5H4IN5.2CH4/c1-11-5-4-8-14-17(11)28-15(18(27-14)12-6-2-3-7-13(12)22)9-30-21-16(19(23)29-30)20(24)25-10-26-21;1-11-5-4-8-14-17(11)28-18(12-6-2-3-7-13(12)22)15(27-14)9-30-21-16(19(23)29-30)20(24)25-10-26-21;1-10-5-4-8-13-15(10)20-14(9-17)16(19-13)11-6-2-3-7-12(11)18;1-10-5-4-8-13-15(10)20-16(14(9-17)19-13)11-6-2-3-7-12(11)18;6-3-2-4(7)8-1-9-5(2)11-10-3;;/h2*2-8,10H,9H2,1H3,(H2,24,25,26);2*2-8H,9H2,1H3;1H,(H3,7,8,9,10,11);2*1H4
• InChIKey: BTUMZMAOQHKYDK-UHFFFAOYSA-N
• XLogP: 21.39
• 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	2043.91
LogP ≤ 5	21.39
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)-3-(2-chlorophenyl)-5-methylquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-methylquinoxaline;1-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine;methane?

The IUPAC name of 2-(bromomethyl)-3-(2-chlorophenyl)-5-methylquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-methylquinoxaline;1-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine;methane (CID 157459940) is 2-(bromomethyl)-3-(2-chlorophenyl)-5-methylquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-methylquinoxaline;1-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine;methane.

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

The canonical SMILES for 2-(bromomethyl)-3-(2-chlorophenyl)-5-methylquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-methylquinoxaline;1-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine;methane is C.C.Cc1cccc2nc(-c3ccccc3Cl)c(CBr)nc12.Cc1cccc2nc(-c3ccccc3Cl)c(Cn3nc(I)c4c(N)ncnc43)nc12.Cc1cccc2nc(CBr)c(-c3ccccc3Cl)nc12.Cc1cccc2nc(Cn3nc(I)c4c(N)ncnc43)c(-c3ccccc3Cl)nc12.Nc1ncnc2n[nH]c(I)c12.

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

The InChIKey is BTUMZMAOQHKYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H15ClIN7.2C16H12BrClN2.C5H4IN5.2CH4/c1-11-5-4-8-14-17(11)28-15(18(27-14)12-6-2-3-7-13(12)22)9-30-21-16(19(23)29-30)20(24)25-10-26-21;1-11-5-4-8-14-17(11)28-18(12-6-2-3-7-13(12)22)15(27-14)9-30-21-16(19(23)29-30)20(24)25-10-26-21;1-10-5-4-8-13-15(10)20-14(9-17)16(19-13)11-6-2-3-7-12(11)18;1-10-5-4-8-13-15(10)20-16(14(9-17)19-13)11-6-2-3-7-12(11)18;6-3-2-4(7)8-1-9-5(2)11-10-3;;/h2*2-8,10H,9H2,1H3,(H2,24,25,26);2*2-8H,9H2,1H3;1H,(H3,7,8,9,10,11);2*1H4.

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

2-(bromomethyl)-3-(2-chlorophenyl)-5-methylquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-methylquinoxaline;1-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine;methane has a molecular weight of 2043.91 g/mol, XLogP of 21.39, 10 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(bromomethyl)-3-(2-chlorophenyl)-5-methylquinoxaline;3-(bromomethyl)-2-(2-chlorophenyl)-5-methylquinoxaline;1-[[3-(2-chlorophenyl)-5-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine;methane is sourced from PubChem (CID 157459940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).