4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C118H161B3Br3F6IN24O12 — CID 159562351

About 4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159562351) has the molecular formula C118H161B3Br3F6IN24O12 and a molecular weight of 2620.78 g/mol. Its IUPAC name is 4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159562351
• Molecular Formula: C118H161B3Br3F6IN24O12
• Molecular Weight: 2620.78 g/mol
• Exact Mass: 2616.95
• IUPAC Name: 4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCc1cc(-c2cc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(O)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(NC3CCC(O)CC3)nc12.CCc1cc(Br)cc2cnc(I)nc12.CCc1cc(Br)cc2cnc(NC3CCC(O)CC3)nc12.CN1CCN(Cc2ccc(NC(=O)Nc3cc(Br)n(C)n3)cc2C(F)(F)F)CC1.NC1CCC(O)CC1
• InChI: InChI=1S/C34H42F3N9O2.C22H32BN3O3.C18H22BrF3N6O.C16H20BrN3O.C12H24B2O4.C10H8BrIN2.C6H13NO/c1-4-21-15-23(16-24-19-38-32(42-31(21)24)39-25-7-9-27(47)10-8-25)29-18-30(43-45(29)3)41-33(48)40-26-6-5-22(28(17-26)34(35,36)37)20-46-13-11-44(2)12-14-46;1-6-14-11-16(23-28-21(2,3)22(4,5)29-23)12-15-13-24-20(26-19(14)15)25-17-7-9-18(27)10-8-17;1-26-5-7-28(8-6-26)11-12-3-4-13(9-14(12)18(20,21)22)23-17(29)24-16-10-15(19)27(2)25-16;1-2-10-7-12(17)8-11-9-18-16(20-15(10)11)19-13-3-5-14(21)6-4-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-6-3-8(11)4-7-5-13-10(12)14-9(6)7;7-5-1-3-6(8)4-2-5/h5-6,15-19,25,27,47H,4,7-14,20H2,1-3H3,(H,38,39,42)(H2,40,41,43,48);11-13,17-18,27H,6-10H2,1-5H3,(H,24,25,26);3-4,9-10H,5-8,11H2,1-2H3,(H2,23,24,25,29);7-9,13-14,21H,2-6H2,1H3,(H,18,19,20);1-8H3;3-5H,2H2,1H3;5-6,8H,1-4,7H2
• InChIKey: MGTYENZRTOCOSS-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 432.39 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2620.78
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159562351) is 4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCc1cc(-c2cc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(O)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(NC3CCC(O)CC3)nc12.CCc1cc(Br)cc2cnc(I)nc12.CCc1cc(Br)cc2cnc(NC3CCC(O)CC3)nc12.CN1CCN(Cc2ccc(NC(=O)Nc3cc(Br)n(C)n3)cc2C(F)(F)F)CC1.NC1CCC(O)CC1.

What is the InChIKey of 4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is MGTYENZRTOCOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42F3N9O2.C22H32BN3O3.C18H22BrF3N6O.C16H20BrN3O.C12H24B2O4.C10H8BrIN2.C6H13NO/c1-4-21-15-23(16-24-19-38-32(42-31(21)24)39-25-7-9-27(47)10-8-25)29-18-30(43-45(29)3)41-33(48)40-26-6-5-22(28(17-26)34(35,36)37)20-46-13-11-44(2)12-14-46;1-6-14-11-16(23-28-21(2,3)22(4,5)29-23)12-15-13-24-20(26-19(14)15)25-17-7-9-18(27)10-8-17;1-26-5-7-28(8-6-26)11-12-3-4-13(9-14(12)18(20,21)22)23-17(29)24-16-10-15(19)27(2)25-16;1-2-10-7-12(17)8-11-9-18-16(20-15(10)11)19-13-3-5-14(21)6-4-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-6-3-8(11)4-7-5-13-10(12)14-9(6)7;7-5-1-3-6(8)4-2-5/h5-6,15-19,25,27,47H,4,7-14,20H2,1-3H3,(H,38,39,42)(H2,40,41,43,48);11-13,17-18,27H,6-10H2,1-5H3,(H,24,25,26);3-4,9-10H,5-8,11H2,1-2H3,(H2,23,24,25,29);7-9,13-14,21H,2-6H2,1H3,(H,18,19,20);1-8H3;3-5H,2H2,1H3;5-6,8H,1-4,7H2.

What are the key properties of 4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2620.78 g/mol, XLogP of 22.25, 21 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminocyclohexan-1-ol;6-bromo-8-ethyl-2-iodoquinazoline;4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexan-1-ol;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[5-[8-ethyl-2-[(4-hydroxycyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexan-1-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159562351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).