About potassium;tert-butyl (2R,5S)-4-[7-bromo-6-chloro-8-fluoro-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(3-iodo-5-methyl-2H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate;deuterio(fluoro)methane;(5-methyl-1H-indazol-4-yl)boronic acid;[(2R)-4-methylmorpholin-2-yl]methanol;molecular iodine;oxolane;hydroxide
potassium;tert-butyl (2R,5S)-4-[7-bromo-6-chloro-8-fluoro-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(3-iodo-5-methyl-2H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate;deuterio(fluoro)methane;(5-methyl-1H-indazol-4-yl)boronic acid;[(2R)-4-methylmorpholin-2-yl]methanol;molecular iodine;oxolane;hydroxide (PubChem CID 159305691) has the molecular formula C143H198BBr2Cl5F5I3KN27O25
and a molecular weight of 3559.01 g/mol. Its IUPAC name is potassium;tert-butyl (2R,5S)-4-[7-bromo-6-chloro-8-fluoro-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(3-iodo-5-methyl-2H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate;deuterio(fluoro)methane;(5-methyl-1H-indazol-4-yl)boronic acid;[(2R)-4-methylmorpholin-2-yl]methanol;molecular iodine;oxolane;hydroxide.
Frequently Asked Questions
What is the IUPAC name of potassium;tert-butyl (2R,5S)-4-[7-bromo-6-chloro-8-fluoro-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(3-iodo-5-methyl-2H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate;deuterio(fluoro)methane;(5-methyl-1H-indazol-4-yl)boronic acid;[(2R)-4-methylmorpholin-2-yl]methanol;molecular iodine;oxolane;hydroxide?
The IUPAC name of potassium;tert-butyl (2R,5S)-4-[7-bromo-6-chloro-8-fluoro-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(3-iodo-5-methyl-2H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate;deuterio(fluoro)methane;(5-methyl-1H-indazol-4-yl)boronic acid;[(2R)-4-methylmorpholin-2-yl]methanol;molecular iodine;oxolane;hydroxide (CID 159305691) is potassium;tert-butyl (2R,5S)-4-[7-bromo-6-chloro-8-fluoro-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(3-iodo-5-methyl-2H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate;deuterio(fluoro)methane;(5-methyl-1H-indazol-4-yl)boronic acid;[(2R)-4-methylmorpholin-2-yl]methanol;molecular iodine;oxolane;hydroxide.
What is the SMILES notation for potassium;tert-butyl (2R,5S)-4-[7-bromo-6-chloro-8-fluoro-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(3-iodo-5-methyl-2H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate;deuterio(fluoro)methane;(5-methyl-1H-indazol-4-yl)boronic acid;[(2R)-4-methylmorpholin-2-yl]methanol;molecular iodine;oxolane;hydroxide?
The canonical SMILES for potassium;tert-butyl (2R,5S)-4-[7-bromo-6-chloro-8-fluoro-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(3-iodo-5-methyl-2H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate;deuterio(fluoro)methane;(5-methyl-1H-indazol-4-yl)boronic acid;[(2R)-4-methylmorpholin-2-yl]methanol;molecular iodine;oxolane;hydroxide is C1CCOC1.C1CCOC1.CC(C)(C)OC(=O)N1CCO[C@@H](CO)C1.CN1CCO[C@@H](CO)C1.C[C@@H]1CN(c2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)[C@@H](C)CN1C(=O)OC(C)(C)C.C[C@@H]1CN(c2nc(OC[C@H]3CN(C)CCO3)nc3c(F)c(Br)c(Cl)cc23)[C@@H](C)CN1C(=O)OC(C)(C)C.Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc(OC[C@H]3CN(C)CCO3)nc2c1F.Cc1ccc2[nH]ncc2c1B(O)O.Cc1ccc2n[nH]c(I)c2c1-c1c(Cl)cc2c(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc(OC[C@H]3CN(C)CCO3)nc2c1F.II.[2H]CF.[K+].[OH-].
What is the InChIKey of potassium;tert-butyl (2R,5S)-4-[7-bromo-6-chloro-8-fluoro-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(3-iodo-5-methyl-2H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate;deuterio(fluoro)methane;(5-methyl-1H-indazol-4-yl)boronic acid;[(2R)-4-methylmorpholin-2-yl]methanol;molecular iodine;oxolane;hydroxide?
The InChIKey is LBWTVRGJLQOKHU-OCTVVJKKSA-M. The full InChI is InChI=1S/C33H40ClFIN7O4.C33H41ClFN7O4.C25H34BrClFN5O4.C19H22BrCl2FN4O2.C10H19NO4.C8H9BN2O2.C6H13NO2.2C4H8O.CH3F.I2.K.H2O/c1-17-8-9-23-26(29(36)40-39-23)24(17)25-22(34)12-21-28(27(25)35)37-31(46-16-20-15-41(7)10-11-45-20)38-30(21)42-13-19(3)43(14-18(42)2)32(44)47-33(4,5)6;1-18-8-9-25-23(13-36-39-25)26(18)27-24(34)12-22-29(28(27)35)37-31(45-17-21-16-40(7)10-11-44-21)38-30(22)41-14-20(3)42(15-19(41)2)32(43)46-33(4,5)6;1-14-11-33(24(34)37-25(3,4)5)15(2)10-32(14)22-17-9-18(27)19(26)20(28)21(17)29-23(30-22)36-13-16-12-31(6)7-8-35-16;1-9-8-27(18(28)29-19(3,4)5)10(2)7-26(9)16-11-6-12(21)13(20)14(23)15(11)24-17(22)25-16;1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12;1-5-2-3-7-6(4-10-11-7)8(5)9(12)13;1-7-2-3-9-6(4-7)5-8;2*1-2-4-5-3-1;2*1-2;;/h8-9,12,18-20H,10-11,13-16H2,1-7H3,(H,39,40);8-9,12-13,19-21H,10-11,14-17H2,1-7H3,(H,36,39);9,14-16H,7-8,10-13H2,1-6H3;6,9-10H,7-8H2,1-5H3;8,12H,4-7H2,1-3H3;2-4,12-13H,1H3,(H,10,11);6,8H,2-5H2,1H3;2*1-4H2;1H3;;;1H2/q;;;;;;;;;;;+1;/p-1/t18-,19+,20+;19-,20+,21+;14-,15+,16+;9-,10+;8-;;6-;;;;;;/m00001.1....../s1/i;;;;;;;;;1D;;;.
What are the key properties of potassium;tert-butyl (2R,5S)-4-[7-bromo-6-chloro-8-fluoro-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(3-iodo-5-methyl-2H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate;deuterio(fluoro)methane;(5-methyl-1H-indazol-4-yl)boronic acid;[(2R)-4-methylmorpholin-2-yl]methanol;molecular iodine;oxolane;hydroxide?
potassium;tert-butyl (2R,5S)-4-[7-bromo-6-chloro-8-fluoro-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(3-iodo-5-methyl-2H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate;deuterio(fluoro)methane;(5-methyl-1H-indazol-4-yl)boronic acid;[(2R)-4-methylmorpholin-2-yl]methanol;molecular iodine;oxolane;hydroxide has a molecular weight of 3559.01 g/mol, XLogP of 22.89, 18 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;tert-butyl (2R,5S)-4-[7-bromo-6-chloro-8-fluoro-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(3-iodo-5-methyl-2H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2R)-4-methylmorpholin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate;deuterio(fluoro)methane;(5-methyl-1H-indazol-4-yl)boronic acid;[(2R)-4-methylmorpholin-2-yl]methanol;molecular iodine;oxolane;hydroxide is sourced from PubChem (CID 159305691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).