4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride

C125H123B3Cl4F3N19O17S — CID 159344808

About 4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride

4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride (PubChem CID 159344808) has the molecular formula C125H123B3Cl4F3N19O17S and a molecular weight of 2426.78 g/mol. Its IUPAC name is 4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride.

Molecular Properties

• Compound Name: 4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride
• PubChem CID: 159344808
• Molecular Formula: C125H123B3Cl4F3N19O17S
• Molecular Weight: 2426.78 g/mol
• Exact Mass: 2423.81
• IUPAC Name: 4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride
• SMILES: CC1(C)OB(c2ccc(C(=O)Cc3ccccn3)cc2)OC1(C)C.CC1(C)OB(c2ccc(C(=O)Cl)cc2)OC1(C)C.CC1(C)OB(c2ccc(C(=O)O)cc2)OC1(C)C.COc1ccc(CNc2nc3c(F)cccc3c3nc(CCl)cn23)c(OC)c1.COc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc(C(=O)Nc5ccccn5)cc4)cn23)c(OC)c1.Nc1ccccn1.Nc1nc2c(F)cccc2c2nc(Cc3ccc(C(=O)Nc4ccccn4)cc3)cn12.O=S(Cl)Cl
• InChI: InChI=1S/C32H27FN6O3.C23H17FN6O.C20H18ClFN4O2.C19H22BNO3.C13H16BClO3.C13H17BO4.C5H6N2.Cl2OS/c1-41-24-14-13-22(27(17-24)42-2)18-35-32-38-29-25(6-5-7-26(29)33)30-36-23(19-39(30)32)16-20-9-11-21(12-10-20)31(40)37-28-8-3-4-15-34-28;24-18-5-3-4-17-20(18)29-23(25)30-13-16(27-21(17)30)12-14-7-9-15(10-8-14)22(31)28-19-6-1-2-11-26-19;1-27-14-7-6-12(17(8-14)28-2)10-23-20-25-18-15(4-3-5-16(18)22)19-24-13(9-21)11-26(19)20;1-18(2)19(3,4)24-20(23-18)15-10-8-14(9-11-15)17(22)13-16-7-5-6-12-21-16;2*1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16;6-5-3-1-2-4-7-5;1-4(2)3/h3-15,17,19H,16,18H2,1-2H3,(H,35,38)(H,34,37,40);1-11,13H,12H2,(H2,25,29)(H,26,28,31);3-8,11H,9-10H2,1-2H3,(H,23,25);5-12H,13H2,1-4H3;5-8H,1-4H3;5-8H,1-4H3,(H,15,16);1-4H,(H2,6,7)
• InChIKey: LGOYHVONDXYQJB-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 457.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2426.78
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride?

The IUPAC name of 4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride (CID 159344808) is 4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride.

What is the SMILES notation for 4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride?

The canonical SMILES for 4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride is CC1(C)OB(c2ccc(C(=O)Cc3ccccn3)cc2)OC1(C)C.CC1(C)OB(c2ccc(C(=O)Cl)cc2)OC1(C)C.CC1(C)OB(c2ccc(C(=O)O)cc2)OC1(C)C.COc1ccc(CNc2nc3c(F)cccc3c3nc(CCl)cn23)c(OC)c1.COc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc(C(=O)Nc5ccccn5)cc4)cn23)c(OC)c1.Nc1ccccn1.Nc1nc2c(F)cccc2c2nc(Cc3ccc(C(=O)Nc4ccccn4)cc3)cn12.O=S(Cl)Cl.

What is the InChIKey of 4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride?

The InChIKey is LGOYHVONDXYQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN6O3.C23H17FN6O.C20H18ClFN4O2.C19H22BNO3.C13H16BClO3.C13H17BO4.C5H6N2.Cl2OS/c1-41-24-14-13-22(27(17-24)42-2)18-35-32-38-29-25(6-5-7-26(29)33)30-36-23(19-39(30)32)16-20-9-11-21(12-10-20)31(40)37-28-8-3-4-15-34-28;24-18-5-3-4-17-20(18)29-23(25)30-13-16(27-21(17)30)12-14-7-9-15(10-8-14)22(31)28-19-6-1-2-11-26-19;1-27-14-7-6-12(17(8-14)28-2)10-23-20-25-18-15(4-3-5-16(18)22)19-24-13(9-21)11-26(19)20;1-18(2)19(3,4)24-20(23-18)15-10-8-14(9-11-15)17(22)13-16-7-5-6-12-21-16;2*1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16;6-5-3-1-2-4-7-5;1-4(2)3/h3-15,17,19H,16,18H2,1-2H3,(H,35,38)(H,34,37,40);1-11,13H,12H2,(H2,25,29)(H,26,28,31);3-8,11H,9-10H2,1-2H3,(H,23,25);5-12H,13H2,1-4H3;5-8H,1-4H3;5-8H,1-4H3,(H,15,16);1-4H,(H2,6,7);.

What are the key properties of 4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride?

4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride has a molecular weight of 2426.78 g/mol, XLogP of 22.68, 27 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-N-pyridin-2-ylbenzamide;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-N-pyridin-2-ylbenzamide;pyridin-2-amine;2-pyridin-2-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl chloride;thionyl dichloride is sourced from PubChem (CID 159344808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).