N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride

C127H154BBrCl4N20O14S3 — CID 158886350

About N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride

N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride (PubChem CID 158886350) has the molecular formula C127H154BBrCl4N20O14S3 and a molecular weight of 2513.48 g/mol. Its IUPAC name is N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride.

Molecular Properties

• Compound Name: N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride
• PubChem CID: 158886350
• Molecular Formula: C127H154BBrCl4N20O14S3
• Molecular Weight: 2513.48 g/mol
• Exact Mass: 2508.91
• IUPAC Name: N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride
• SMILES: CCc1cc(-c2ccc(N)cc2)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)cc2cnc(NC3CCC(N)CC3)nc12.CCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.Nc1ccc(Br)cc1.O=S(=O)(Cl)c1ccccc1Cl
• InChI: InChI=1S/C33H38ClN5O4S.C28H30ClN5O2S.C27H41BN4O4.C27H35N5O2.C6H6BrN.C6H4Cl2O2S/c1-5-21-18-23(22-10-12-27(13-11-22)39-44(41,42)29-9-7-6-8-28(29)34)19-24-20-35-31(38-30(21)24)36-25-14-16-26(17-15-25)37-32(40)43-33(2,3)4;1-2-18-15-20(16-21-17-31-28(33-27(18)21)32-23-13-9-22(30)10-14-23)19-7-11-24(12-8-19)34-37(35,36)26-6-4-3-5-25(26)29;1-9-17-14-19(28-35-26(5,6)27(7,8)36-28)15-18-16-29-23(32-22(17)18)30-20-10-12-21(13-11-20)31-24(33)34-25(2,3)4;1-5-17-14-19(18-6-8-21(28)9-7-18)15-20-16-29-25(32-24(17)20)30-22-10-12-23(13-11-22)31-26(33)34-27(2,3)4;7-5-1-3-6(8)4-2-5;7-5-3-1-2-4-6(5)11(8,9)10/h6-13,18-20,25-26,39H,5,14-17H2,1-4H3,(H,37,40)(H,35,36,38);3-8,11-12,15-17,22-23,34H,2,9-10,13-14,30H2,1H3,(H,31,32,33);14-16,20-21H,9-13H2,1-8H3,(H,31,33)(H,29,30,32);6-9,14-16,22-23H,5,10-13,28H2,1-4H3,(H,31,33)(H,29,30,32);1-4H,8H2;1-4H
• InChIKey: JDRIOTSODUCKEA-UHFFFAOYSA-N
• XLogP: 28.28
• TPSA: 489.23 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2513.48
LogP ≤ 5	28.28
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride?

The IUPAC name of N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride (CID 158886350) is N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride.

What is the SMILES notation for N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride?

The canonical SMILES for N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride is CCc1cc(-c2ccc(N)cc2)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.CCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)cc2cnc(NC3CCC(N)CC3)nc12.CCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.Nc1ccc(Br)cc1.O=S(=O)(Cl)c1ccccc1Cl.

What is the InChIKey of N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride?

The InChIKey is JDRIOTSODUCKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClN5O4S.C28H30ClN5O2S.C27H41BN4O4.C27H35N5O2.C6H6BrN.C6H4Cl2O2S/c1-5-21-18-23(22-10-12-27(13-11-22)39-44(41,42)29-9-7-6-8-28(29)34)19-24-20-35-31(38-30(21)24)36-25-14-16-26(17-15-25)37-32(40)43-33(2,3)4;1-2-18-15-20(16-21-17-31-28(33-27(18)21)32-23-13-9-22(30)10-14-23)19-7-11-24(12-8-19)34-37(35,36)26-6-4-3-5-25(26)29;1-9-17-14-19(28-35-26(5,6)27(7,8)36-28)15-18-16-29-23(32-22(17)18)30-20-10-12-21(13-11-20)31-24(33)34-25(2,3)4;1-5-17-14-19(18-6-8-21(28)9-7-18)15-20-16-29-25(32-24(17)20)30-22-10-12-23(13-11-22)31-26(33)34-27(2,3)4;7-5-1-3-6(8)4-2-5;7-5-3-1-2-4-6(5)11(8,9)10/h6-13,18-20,25-26,39H,5,14-17H2,1-4H3,(H,37,40)(H,35,36,38);3-8,11-12,15-17,22-23,34H,2,9-10,13-14,30H2,1H3,(H,31,32,33);14-16,20-21H,9-13H2,1-8H3,(H,31,33)(H,29,30,32);6-9,14-16,22-23H,5,10-13,28H2,1-4H3,(H,31,33)(H,29,30,32);1-4H,8H2;1-4H.

What are the key properties of N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride?

N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride has a molecular weight of 2513.48 g/mol, XLogP of 28.28, 26 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]phenyl]-2-chlorobenzenesulfonamide;4-bromoaniline;tert-butyl N-[4-[[6-(4-aminophenyl)-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 158886350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).