6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde

C129H168BBr2Cl3F3IN18O16S3 — CID 159755335

About 6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde

6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde (PubChem CID 159755335) has the molecular formula C129H168BBr2Cl3F3IN18O16S3 and a molecular weight of 2783.95 g/mol. Its IUPAC name is 6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde
• PubChem CID: 159755335
• Molecular Formula: C129H168BBr2Cl3F3IN18O16S3
• Molecular Weight: 2783.95 g/mol
• Exact Mass: 2778.86
• IUPAC Name: 6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde
• SMILES: C.C.C.CCC1CCC(N)CC1.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(N(C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(NC)CC3)nc12.CCc1cc(Br)cc2cnc(I)nc12.CCc1cc(Br)cc2cnc(NC3CCC(N(C)C(=O)OC(C)(C)C)CC3)nc12.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1B1OC(C)(C)C(C)(C)O1.O=CC(F)(F)F
• InChI: InChI=1S/C35H42ClN5O5S.C30H34ClN5O3S.C22H31BrN4O2.C19H23BClNO5S.C10H8BrIN2.C8H17N.C2HF3O.3CH4/c1-7-22-18-23(28-17-14-26(38-32(28)45-6)21-47(43,44)30-11-9-8-10-29(30)36)19-24-20-37-33(40-31(22)24)39-25-12-15-27(16-13-25)41(5)34(42)46-35(2,3)4;1-4-19-15-20(16-21-17-33-30(36-28(19)21)35-23-11-9-22(32-2)10-12-23)25-14-13-24(34-29(25)39-3)18-40(37,38)27-8-6-5-7-26(27)31;1-6-14-11-16(23)12-15-13-24-20(26-19(14)15)25-17-7-9-18(10-8-17)27(5)21(28)29-22(2,3)4;1-18(2)19(3,4)27-20(26-18)14-11-10-13(22-17(14)25-5)12-28(23,24)16-9-7-6-8-15(16)21;1-2-6-3-8(11)4-7-5-13-10(12)14-9(6)7;1-2-7-3-5-8(9)6-4-7;3-2(4,5)1-6;;;/h8-11,14,17-20,25,27H,7,12-13,15-16,21H2,1-6H3,(H,37,39,40);5-8,13-17,22-23,32H,4,9-12,18H2,1-3H3,(H,33,35,36);11-13,17-18H,6-10H2,1-5H3,(H,24,25,26);6-11H,12H2,1-5H3;3-5H,2H2,1H3;7-8H,2-6,9H2,1H3;1H;3*1H4
• InChIKey: NEELJUFPSCAPPY-UHFFFAOYSA-N
• XLogP: 30.00
• TPSA: 440.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2783.95
LogP ≤ 5	30.00
H-Bond Donors ≤ 5	5
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;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde (CID 159755335) is 6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde is C.C.C.CCC1CCC(N)CC1.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(N(C)C(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(NC)CC3)nc12.CCc1cc(Br)cc2cnc(I)nc12.CCc1cc(Br)cc2cnc(NC3CCC(N(C)C(=O)OC(C)(C)C)CC3)nc12.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1B1OC(C)(C)C(C)(C)O1.O=CC(F)(F)F.

What is the InChIKey of 6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde?

The InChIKey is NEELJUFPSCAPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42ClN5O5S.C30H34ClN5O3S.C22H31BrN4O2.C19H23BClNO5S.C10H8BrIN2.C8H17N.C2HF3O.3CH4/c1-7-22-18-23(28-17-14-26(38-32(28)45-6)21-47(43,44)30-11-9-8-10-29(30)36)19-24-20-37-33(40-31(22)24)39-25-12-15-27(16-13-25)41(5)34(42)46-35(2,3)4;1-4-19-15-20(16-21-17-33-30(36-28(19)21)35-23-11-9-22(32-2)10-12-23)25-14-13-24(34-29(25)39-3)18-40(37,38)27-8-6-5-7-26(27)31;1-6-14-11-16(23)12-15-13-24-20(26-19(14)15)25-17-7-9-18(10-8-17)27(5)21(28)29-22(2,3)4;1-18(2)19(3,4)27-20(26-18)14-11-10-13(22-17(14)25-5)12-28(23,24)16-9-7-6-8-15(16)21;1-2-6-3-8(11)4-7-5-13-10(12)14-9(6)7;1-2-7-3-5-8(9)6-4-7;3-2(4,5)1-6;;;/h8-11,14,17-20,25,27H,7,12-13,15-16,21H2,1-6H3,(H,37,39,40);5-8,13-17,22-23,32H,4,9-12,18H2,1-3H3,(H,33,35,36);11-13,17-18H,6-10H2,1-5H3,(H,24,25,26);6-11H,12H2,1-5H3;3-5H,2H2,1H3;7-8H,2-6,9H2,1H3;1H;3*1H4.

What are the key properties of 6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde?

6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde has a molecular weight of 2783.95 g/mol, XLogP of 30.00, 29 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-ethylcyclohexan-1-amine;methane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159755335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).