2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride

C112H127BBr2Cl3N21O18S4 — CID 157462159

About 2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride

2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride (PubChem CID 157462159) has the molecular formula C112H127BBr2Cl3N21O18S4 and a molecular weight of 2460.62 g/mol. Its IUPAC name is 2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-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: 2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride
• PubChem CID: 157462159
• Molecular Formula: C112H127BBr2Cl3N21O18S4
• Molecular Weight: 2460.62 g/mol
• Exact Mass: 2455.61
• IUPAC Name: 2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride
• SMILES: COc1nc(CS(=O)(=O)c2ccccc2C#N)ccc1-c1cc2cnc(NC3CCC(N)CC3)nc2cc1C.COc1nc(CS(=O)(=O)c2ccccc2C#N)ccc1-c1cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc2cc1C.COc1nc(N)cnc1Br.COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1Br.Cc1cc2nc(NC3CCC(NC(=O)OC(C)(C)C)CC3)ncc2cc1B1OC(C)(C)C(C)(C)O1.O=S(=O)(Cl)c1ccccc1Cl
• InChI: InChI=1S/C34H38N6O5S.C29H30N6O3S.C26H39BN4O4.C12H10BrClN2O3S.C6H4Cl2O2S.C5H6BrN3O/c1-21-16-29-23(19-36-32(40-29)38-24-10-12-25(13-11-24)39-33(41)45-34(2,3)4)17-28(21)27-15-14-26(37-31(27)44-5)20-46(42,43)30-9-7-6-8-22(30)18-35;1-18-13-26-20(16-32-29(35-26)34-22-9-7-21(31)8-10-22)14-25(18)24-12-11-23(33-28(24)38-2)17-39(36,37)27-6-4-3-5-19(27)15-30;1-16-13-21-17(14-20(16)27-34-25(5,6)26(7,8)35-27)15-28-22(31-21)29-18-9-11-19(12-10-18)30-23(32)33-24(2,3)4;1-19-12-8(13)6-7-11(15-12)16-20(17,18)10-5-3-2-4-9(10)14;7-5-3-1-2-4-6(5)11(8,9)10;1-10-5-4(6)8-2-3(7)9-5/h6-9,14-17,19,24-25H,10-13,20H2,1-5H3,(H,39,41)(H,36,38,40);3-6,11-14,16,21-22H,7-10,17,31H2,1-2H3,(H,32,34,35);13-15,18-19H,9-12H2,1-8H3,(H,30,32)(H,28,29,31);2-7H,1H3,(H,15,16);1-4H;2H,1H3,(H2,7,9)
• InChIKey: BUAYSJOCOMWXNS-UHFFFAOYSA-N
• XLogP: 21.53
• TPSA: 558.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2460.62
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-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 2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride (CID 157462159) is 2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-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 2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-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 2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride is COc1nc(CS(=O)(=O)c2ccccc2C#N)ccc1-c1cc2cnc(NC3CCC(N)CC3)nc2cc1C.COc1nc(CS(=O)(=O)c2ccccc2C#N)ccc1-c1cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc2cc1C.COc1nc(N)cnc1Br.COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1Br.Cc1cc2nc(NC3CCC(NC(=O)OC(C)(C)C)CC3)ncc2cc1B1OC(C)(C)C(C)(C)O1.O=S(=O)(Cl)c1ccccc1Cl.

What is the InChIKey of 2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride?

The InChIKey is BUAYSJOCOMWXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O5S.C29H30N6O3S.C26H39BN4O4.C12H10BrClN2O3S.C6H4Cl2O2S.C5H6BrN3O/c1-21-16-29-23(19-36-32(40-29)38-24-10-12-25(13-11-24)39-33(41)45-34(2,3)4)17-28(21)27-15-14-26(37-31(27)44-5)20-46(42,43)30-9-7-6-8-22(30)18-35;1-18-13-26-20(16-32-29(35-26)34-22-9-7-21(31)8-10-22)14-25(18)24-12-11-23(33-28(24)38-2)17-39(36,37)27-6-4-3-5-19(27)15-30;1-16-13-21-17(14-20(16)27-34-25(5,6)26(7,8)35-27)15-28-22(31-21)29-18-9-11-19(12-10-18)30-23(32)33-24(2,3)4;1-19-12-8(13)6-7-11(15-12)16-20(17,18)10-5-3-2-4-9(10)14;7-5-3-1-2-4-6(5)11(8,9)10;1-10-5-4(6)8-2-3(7)9-5/h6-9,14-17,19,24-25H,10-13,20H2,1-5H3,(H,39,41)(H,36,38,40);3-6,11-14,16,21-22H,7-10,17,31H2,1-2H3,(H,32,34,35);13-15,18-19H,9-12H2,1-8H3,(H,30,32)(H,28,29,31);2-7H,1H3,(H,15,16);1-4H;2H,1H3,(H2,7,9).

What are the key properties of 2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride?

2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-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 2460.62 g/mol, XLogP of 21.53, 25 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[2-[(4-aminocyclohexyl)amino]-7-methylquinazolin-6-yl]-6-methoxy-2-pyridinyl]methylsulfonyl]benzonitrile;5-bromo-6-methoxypyrazin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[[6-[6-[(2-cyanophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-7-methylquinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[7-methyl-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 157462159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).