6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C163H201BBr3ClN36O22Si3 — CID 159163575

About 6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 159163575) has the molecular formula C163H201BBr3ClN36O22Si3 and a molecular weight of 3386.87 g/mol. Its IUPAC name is 6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 159163575
• Molecular Formula: C163H201BBr3ClN36O22Si3
• Molecular Weight: 3386.87 g/mol
• Exact Mass: 3381.24
• IUPAC Name: 6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: C#C[Si](C)(C)C.C#Cc1ccc2nc(Nc3cc(OCCNC(=O)c4cnn(C)c4)cc(-c4cnn(C)c4)c3)ncc2c1.CC(C)(C)CC(=O)NCCBr.Clc1ncc2cc(Br)ccc2n1.Cn1cc(-c2cc(N)cc(OCCNC(=O)OC(C)(C)C)c2)cn1.Cn1cc(-c2cc(N)cc(OCCNC(=O)OC(C)(C)C)c2)cn1.Cn1cc(-c2cc(Nc3ncc4cc(C#C[Si](C)(C)C)ccc4n3)cc(OCCNC(=O)OC(C)(C)C)c2)cn1.Cn1cc(-c2cc(Nc3ncc4cc(C#C[Si](C)(C)C)ccc4n3)cc(OCCNC(=O)OC(C)(C)C)c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Cn1cc(C(=O)O)cn1.O=[N+]([O-])c1cc(O)cc(Br)c1
• InChI: InChI=1S/2C30H36N6O3Si.C27H24N8O2.2C17H24N4O3.C10H17BN2O2.C8H4BrClN2.C8H16BrNO.C6H4BrNO3.C5H6N2O2.C5H10Si/c2*1-30(2,3)39-29(37)31-11-12-38-26-16-22(24-19-33-36(4)20-24)15-25(17-26)34-28-32-18-23-14-21(8-9-27(23)35-28)10-13-40(5,6)7;1-4-18-5-6-25-20(9-18)13-29-27(33-25)32-23-10-19(21-14-30-34(2)16-21)11-24(12-23)37-8-7-28-26(36)22-15-31-35(3)17-22;2*1-17(2,3)24-16(22)19-5-6-23-15-8-12(7-14(18)9-15)13-10-20-21(4)11-13;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-6-1-2-7-5(3-6)4-11-8(10)12-7;1-8(2,3)6-7(11)10-5-4-9;7-4-1-5(8(10)11)3-6(9)2-4;1-7-3-4(2-6-7)5(8)9;1-5-6(2,3)4/h2*8-9,14-20H,11-12H2,1-7H3,(H,31,37)(H,32,34,35);1,5-6,9-17H,7-8H2,2-3H3,(H,28,36)(H,29,32,33);2*7-11H,5-6,18H2,1-4H3,(H,19,22);6-7H,1-5H3;1-4H;4-6H2,1-3H3,(H,10,11);1-3,9H;2-3H,1H3,(H,8,9);1H,2-4H3
• InChIKey: KKUIWKWTPMHUMV-UHFFFAOYSA-N
• XLogP: 29.63
• TPSA: 710.61 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 50
• Rotatable Bonds: 38
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3386.87
LogP ≤ 5	29.63
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 159163575) is 6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is C#C[Si](C)(C)C.C#Cc1ccc2nc(Nc3cc(OCCNC(=O)c4cnn(C)c4)cc(-c4cnn(C)c4)c3)ncc2c1.CC(C)(C)CC(=O)NCCBr.Clc1ncc2cc(Br)ccc2n1.Cn1cc(-c2cc(N)cc(OCCNC(=O)OC(C)(C)C)c2)cn1.Cn1cc(-c2cc(N)cc(OCCNC(=O)OC(C)(C)C)c2)cn1.Cn1cc(-c2cc(Nc3ncc4cc(C#C[Si](C)(C)C)ccc4n3)cc(OCCNC(=O)OC(C)(C)C)c2)cn1.Cn1cc(-c2cc(Nc3ncc4cc(C#C[Si](C)(C)C)ccc4n3)cc(OCCNC(=O)OC(C)(C)C)c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Cn1cc(C(=O)O)cn1.O=[N+]([O-])c1cc(O)cc(Br)c1.

What is the InChIKey of 6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is KKUIWKWTPMHUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H36N6O3Si.C27H24N8O2.2C17H24N4O3.C10H17BN2O2.C8H4BrClN2.C8H16BrNO.C6H4BrNO3.C5H6N2O2.C5H10Si/c2*1-30(2,3)39-29(37)31-11-12-38-26-16-22(24-19-33-36(4)20-24)15-25(17-26)34-28-32-18-23-14-21(8-9-27(23)35-28)10-13-40(5,6)7;1-4-18-5-6-25-20(9-18)13-29-27(33-25)32-23-10-19(21-14-30-34(2)16-21)11-24(12-23)37-8-7-28-26(36)22-15-31-35(3)17-22;2*1-17(2,3)24-16(22)19-5-6-23-15-8-12(7-14(18)9-15)13-10-20-21(4)11-13;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-6-1-2-7-5(3-6)4-11-8(10)12-7;1-8(2,3)6-7(11)10-5-4-9;7-4-1-5(8(10)11)3-6(9)2-4;1-7-3-4(2-6-7)5(8)9;1-5-6(2,3)4/h2*8-9,14-20H,11-12H2,1-7H3,(H,31,37)(H,32,34,35);1,5-6,9-17H,7-8H2,2-3H3,(H,28,36)(H,29,32,33);2*7-11H,5-6,18H2,1-4H3,(H,19,22);6-7H,1-5H3;1-4H;4-6H2,1-3H3,(H,10,11);1-3,9H;2-3H,1H3,(H,8,9);1H,2-4H3.

What are the key properties of 6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 3386.87 g/mol, XLogP of 29.63, 38 rotatable bonds, 13 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-chloroquinazoline;N-(2-bromoethyl)-3,3-dimethylbutanamide;3-bromo-5-nitrophenol;bis(tert-butyl N-[2-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]carbamate);bis(tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]ethyl]carbamate);N-[2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1-methylpyrazole-4-carboxamide;ethynyl(trimethyl)silane;1-methylpyrazole-4-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 159163575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).