6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane

C150H194Br3ClN30O15Si3 — CID 159113247

IUPAC6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane
SMILESC.C.C.C.C.C#C[Si](C)(C)C.C[C@@H](COc1cc(N)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.Clc1ncc2cc(Br)ccc2n1
InChIInChI=1S/2C31H38N6O3Si.2C26H29BrN6O3.C18H26N4O3.C8H4BrClN2.C5H10Si.5CH4/c2*1-21(34-30(38)40-31(2,3)4)20-39-27-15-23(25-18-33-37(5)19-25)14-26(16-27)35-29-32-17-24-13-22(9-10-28(24)36-29)11-12-41(6,7)8;2*1-16(30-25(34)36-26(2,3)4)15-35-22-10-17(19-13-29-33(5)14-19)9-21(11-22)31-24-28-12-18-8-20(27)6-7-23(18)32-24;1-12(21-17(23)25-18(2,3)4)11-24-16-7-13(6-15(19)8-16)14-9-20-22(5)10-14;9-6-1-2-7-5(3-6)4-11-8(10)12-7;1-5-6(2,3)4;;;;;/h2*9-10,13-19,21H,20H2,1-8H3,(H,34,38)(H,32,35,36);2*6-14,16H,15H2,1-5H3,(H,30,34)(H,28,31,32);6-10,12H,11,19H2,1-5H3,(H,21,23);1-4H;1H,2-4H3;5*1H4/t2*21-;2*16-;12-;;;;;;;/m00000......./s1
InChIKeyKETLUXSHKDPHKG-LODFBZLLSA-N
MW3016.82 g/mol
LogP34.93
Rot. Bonds33

About 6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane

6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane (PubChem CID 159113247) has the molecular formula C150H194Br3ClN30O15Si3 and a molecular weight of 3016.82 g/mol. Its IUPAC name is 6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane.

Molecular Properties

Compound Name6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane
PubChem CID159113247
Molecular FormulaC150H194Br3ClN30O15Si3
Molecular Weight3016.82 g/mol
Exact Mass3011.19
IUPAC Name6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane
SMILESC.C.C.C.C.C#C[Si](C)(C)C.C[C@@H](COc1cc(N)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.Clc1ncc2cc(Br)ccc2n1
InChIInChI=1S/2C31H38N6O3Si.2C26H29BrN6O3.C18H26N4O3.C8H4BrClN2.C5H10Si.5CH4/c2*1-21(34-30(38)40-31(2,3)4)20-39-27-15-23(25-18-33-37(5)19-25)14-26(16-27)35-29-32-17-24-13-22(9-10-28(24)36-29)11-12-41(6,7)8;2*1-16(30-25(34)36-26(2,3)4)15-35-22-10-17(19-13-29-33(5)14-19)9-21(11-22)31-24-28-12-18-8-20(27)6-7-23(18)32-24;1-12(21-17(23)25-18(2,3)4)11-24-16-7-13(6-15(19)8-16)14-9-20-22(5)10-14;9-6-1-2-7-5(3-6)4-11-8(10)12-7;1-5-6(2,3)4;;;;;/h2*9-10,13-19,21H,20H2,1-8H3,(H,34,38)(H,32,35,36);2*6-14,16H,15H2,1-5H3,(H,30,34)(H,28,31,32);6-10,12H,11,19H2,1-5H3,(H,21,23);1-4H;1H,2-4H3;5*1H4/t2*21-;2*16-;12-;;;;;;;/m00000......./s1
InChIKeyKETLUXSHKDPHKG-LODFBZLLSA-N
XLogP34.93
TPSA529.94 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds33
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003016.82
LogP ≤ 534.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane?
The IUPAC name of 6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane (CID 159113247) is 6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane.
What is the SMILES notation for 6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane?
The canonical SMILES for 6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane is C.C.C.C.C.C#C[Si](C)(C)C.C[C@@H](COc1cc(N)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.Clc1ncc2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane?
The InChIKey is KETLUXSHKDPHKG-LODFBZLLSA-N. The full InChI is InChI=1S/2C31H38N6O3Si.2C26H29BrN6O3.C18H26N4O3.C8H4BrClN2.C5H10Si.5CH4/c2*1-21(34-30(38)40-31(2,3)4)20-39-27-15-23(25-18-33-37(5)19-25)14-26(16-27)35-29-32-17-24-13-22(9-10-28(24)36-29)11-12-41(6,7)8;2*1-16(30-25(34)36-26(2,3)4)15-35-22-10-17(19-13-29-33(5)14-19)9-21(11-22)31-24-28-12-18-8-20(27)6-7-23(18)32-24;1-12(21-17(23)25-18(2,3)4)11-24-16-7-13(6-15(19)8-16)14-9-20-22(5)10-14;9-6-1-2-7-5(3-6)4-11-8(10)12-7;1-5-6(2,3)4;;;;;/h2*9-10,13-19,21H,20H2,1-8H3,(H,34,38)(H,32,35,36);2*6-14,16H,15H2,1-5H3,(H,30,34)(H,28,31,32);6-10,12H,11,19H2,1-5H3,(H,21,23);1-4H;1H,2-4H3;5*1H4/t2*21-;2*16-;12-;;;;;;;/m00000......./s1.
What are the key properties of 6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane?
6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane has a molecular weight of 3016.82 g/mol, XLogP of 34.93, 33 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane is sourced from PubChem (CID 159113247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).