6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine

C135H198B3Br3F9IN24O10 — CID 159204153

About 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine

6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine (PubChem CID 159204153) has the molecular formula C135H198B3Br3F9IN24O10 and a molecular weight of 2887.26 g/mol. Its IUPAC name is 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

• Compound Name: 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine
• PubChem CID: 159204153
• Molecular Formula: C135H198B3Br3F9IN24O10
• Molecular Weight: 2887.26 g/mol
• Exact Mass: 2883.25
• IUPAC Name: 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1CCC(N(C)C)CC1.CC1CCC(N)CC1.CCc1cc(-c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CCc1cc(Br)cc2cnc(I)nc12.CCc1cc(Br)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CN(C)C1CCC(N)CC1.CO.Cn1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Br.O=CC(F)(F)F
• InChI: InChI=1S/C31H36F3N7O.C24H37BN4O2.C18H25BrN4.C13H11BrF3N3O.C12H24B2O4.C10H8BrIN2.C9H19N.C8H18N2.C7H15N.C2HF3O.CH4O/c1-5-20-15-21(16-22-18-35-30(38-29(20)22)36-24-9-11-25(12-10-24)40(2)3)26-17-27(39-41(26)4)37-28(42)14-19-7-6-8-23(13-19)31(32,33)34;1-8-16-13-18(25-30-23(2,3)24(4,5)31-25)14-17-15-26-22(28-21(16)17)27-19-9-11-20(12-10-19)29(6)7;1-4-12-9-14(19)10-13-11-20-18(22-17(12)13)21-15-5-7-16(8-6-15)23(2)3;1-20-10(14)7-11(19-20)18-12(21)6-8-3-2-4-9(5-8)13(15,16)17;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;1-8-4-6-9(7-5-8)10(2)3;1-10(2)8-5-3-7(9)4-6-8;1-6-2-4-7(8)5-3-6;3-2(4,5)1-6;1-2/h6-8,13,15-18,24-25H,5,9-12,14H2,1-4H3,(H,35,36,38)(H,37,39,42);13-15,19-20H,8-12H2,1-7H3,(H,26,27,28);9-11,15-16H,4-8H2,1-3H3,(H,20,21,22);2-5,7H,6H2,1H3,(H,18,19,21);1-8H3;3-5H,2H2,1H3;8-9H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;6-7H,2-5,8H2,1H3;1H;2H,1H3
• InChIKey: KPQUUSITZGCOBZ-UHFFFAOYSA-N
• XLogP: 28.11
• TPSA: 393.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2887.26
LogP ≤ 5	28.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine?

The IUPAC name of 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine (CID 159204153) is 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine.

What is the SMILES notation for 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine?

The canonical SMILES for 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1CCC(N(C)C)CC1.CC1CCC(N)CC1.CCc1cc(-c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CCc1cc(Br)cc2cnc(I)nc12.CCc1cc(Br)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CN(C)C1CCC(N)CC1.CO.Cn1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Br.O=CC(F)(F)F.

What is the InChIKey of 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine?

The InChIKey is KPQUUSITZGCOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F3N7O.C24H37BN4O2.C18H25BrN4.C13H11BrF3N3O.C12H24B2O4.C10H8BrIN2.C9H19N.C8H18N2.C7H15N.C2HF3O.CH4O/c1-5-20-15-21(16-22-18-35-30(38-29(20)22)36-24-9-11-25(12-10-24)40(2)3)26-17-27(39-41(26)4)37-28(42)14-19-7-6-8-23(13-19)31(32,33)34;1-8-16-13-18(25-30-23(2,3)24(4,5)31-25)14-17-15-26-22(28-21(16)17)27-19-9-11-20(12-10-19)29(6)7;1-4-12-9-14(19)10-13-11-20-18(22-17(12)13)21-15-5-7-16(8-6-15)23(2)3;1-20-10(14)7-11(19-20)18-12(21)6-8-3-2-4-9(5-8)13(15,16)17;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;1-8-4-6-9(7-5-8)10(2)3;1-10(2)8-5-3-7(9)4-6-8;1-6-2-4-7(8)5-3-6;3-2(4,5)1-6;1-2/h6-8,13,15-18,24-25H,5,9-12,14H2,1-4H3,(H,35,36,38)(H,37,39,42);13-15,19-20H,8-12H2,1-7H3,(H,26,27,28);9-11,15-16H,4-8H2,1-3H3,(H,20,21,22);2-5,7H,6H2,1H3,(H,18,19,21);1-8H3;3-5H,2H2,1H3;8-9H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;6-7H,2-5,8H2,1H3;1H;2H,1H3.

What are the key properties of 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine?

6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 2887.26 g/mol, XLogP of 28.11, 24 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-ethyl-2-iodoquinazoline;1-N-(6-bromo-8-ethylquinazolin-2-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;methanol;4-methylcyclohexan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 159204153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).