3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C67H60B2BrCl5N14O4 — CID 159934281

About 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (PubChem CID 159934281) has the molecular formula C67H60B2BrCl5N14O4 and a molecular weight of 1404.10 g/mol. Its IUPAC name is 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

Molecular Properties

• Compound Name: 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• PubChem CID: 159934281
• Molecular Formula: C67H60B2BrCl5N14O4
• Molecular Weight: 1404.10 g/mol
• Exact Mass: 1400.27
• IUPAC Name: 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
• SMILES: CC1(C)OB(c2cc(Cl)c3ncccc3c2)OC1(C)C.Cc1c(C#N)cccc1-c1nc(N)cnc1-c1cc(Cl)c2ncccc2c1.Cc1c(C#N)cccc1B1OC(C)(C)C(C)(C)O1.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(Cl)n1.Nc1cnc(Br)c(Cl)n1
• InChI: InChI=1S/C21H14ClN5.C15H17BClNO2.C14H18BNO2.C13H8Cl2N4.C4H3BrClN3/c1-12-14(10-23)4-2-6-16(12)21-20(26-11-18(24)27-21)15-8-13-5-3-7-25-19(13)17(22)9-15;1-14(2)15(3,4)20-16(19-14)11-8-10-6-5-7-18-13(10)12(17)9-11;1-10-11(9-16)7-6-8-12(10)15-17-13(2,3)14(4,5)18-15;14-9-5-8(4-7-2-1-3-17-11(7)9)12-13(15)19-10(16)6-18-12;5-3-4(6)9-2(7)1-8-3/h2-9,11H,1H3,(H2,24,27);5-9H,1-4H3;6-8H,1-5H3;1-6H,(H2,16,19);1H,(H2,7,9)
• InChIKey: OAAQQVGQZCJDHQ-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 278.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 5
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1404.10
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The IUPAC name of 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (CID 159934281) is 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.

What is the SMILES notation for 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The canonical SMILES for 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is CC1(C)OB(c2cc(Cl)c3ncccc3c2)OC1(C)C.Cc1c(C#N)cccc1-c1nc(N)cnc1-c1cc(Cl)c2ncccc2c1.Cc1c(C#N)cccc1B1OC(C)(C)C(C)(C)O1.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(Cl)n1.Nc1cnc(Br)c(Cl)n1.

What is the InChIKey of 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

The InChIKey is OAAQQVGQZCJDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5.C15H17BClNO2.C14H18BNO2.C13H8Cl2N4.C4H3BrClN3/c1-12-14(10-23)4-2-6-16(12)21-20(26-11-18(24)27-21)15-8-13-5-3-7-25-19(13)17(22)9-15;1-14(2)15(3,4)20-16(19-14)11-8-10-6-5-7-18-13(10)12(17)9-11;1-10-11(9-16)7-6-8-12(10)15-17-13(2,3)14(4,5)18-15;14-9-5-8(4-7-2-1-3-17-11(7)9)12-13(15)19-10(16)6-18-12;5-3-4(6)9-2(7)1-8-3/h2-9,11H,1H3,(H2,24,27);5-9H,1-4H3;6-8H,1-5H3;1-6H,(H2,16,19);1H,(H2,7,9).

What are the key properties of 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile?

3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile has a molecular weight of 1404.10 g/mol, XLogP of 15.18, 5 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-2-methylbenzonitrile;5-bromo-6-chloropyrazin-2-amine;6-chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is sourced from PubChem (CID 159934281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).