About potassium;azane;tert-butyl 9-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[(7-methoxy-4-oxo-3H-quinazolin-6-yl)oxy]-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;bis(3-chloro-2-fluoroaniline);9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;hydride;molecular hydrogen;hydrate;hydroiodide
potassium;azane;tert-butyl 9-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[(7-methoxy-4-oxo-3H-quinazolin-6-yl)oxy]-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;bis(3-chloro-2-fluoroaniline);9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;hydride;molecular hydrogen;hydrate;hydroiodide (PubChem CID 158673908) has the molecular formula C171H187Cl6F22IKN29O35
and a molecular weight of 4005.22 g/mol. Its IUPAC name is potassium;azane;tert-butyl 9-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[(7-methoxy-4-oxo-3H-quinazolin-6-yl)oxy]-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;bis(3-chloro-2-fluoroaniline);9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;hydride;molecular hydrogen;hydrate;hydroiodide.
Frequently Asked Questions
What is the IUPAC name of potassium;azane;tert-butyl 9-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[(7-methoxy-4-oxo-3H-quinazolin-6-yl)oxy]-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;bis(3-chloro-2-fluoroaniline);9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;hydride;molecular hydrogen;hydrate;hydroiodide?
The IUPAC name of potassium;azane;tert-butyl 9-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[(7-methoxy-4-oxo-3H-quinazolin-6-yl)oxy]-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;bis(3-chloro-2-fluoroaniline);9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;hydride;molecular hydrogen;hydrate;hydroiodide (CID 158673908) is potassium;azane;tert-butyl 9-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[(7-methoxy-4-oxo-3H-quinazolin-6-yl)oxy]-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;bis(3-chloro-2-fluoroaniline);9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;hydride;molecular hydrogen;hydrate;hydroiodide.
What is the SMILES notation for potassium;azane;tert-butyl 9-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[(7-methoxy-4-oxo-3H-quinazolin-6-yl)oxy]-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;bis(3-chloro-2-fluoroaniline);9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;hydride;molecular hydrogen;hydrate;hydroiodide?
The canonical SMILES for potassium;azane;tert-butyl 9-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[(7-methoxy-4-oxo-3H-quinazolin-6-yl)oxy]-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;bis(3-chloro-2-fluoroaniline);9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;hydride;molecular hydrogen;hydrate;hydroiodide is COc1cc2nc[nH]c(=O)c2cc1OC1CCC2(CC1)C(=O)N(C(=O)OC(C)(C)C)CCN2C(=O)C(F)(F)F.COc1cc2ncn(Cc3ccccc3)c(=O)c2cc1OC1CCC2(CC1)C(=O)N(C(=O)OC(C)(C)C)CCN2C(=O)C(F)(F)F.COc1cc2ncnc(Cl)c2cc1OC1CCC2(CC1)C(=O)N(C(=O)OC(C)(C)C)CCN2C(=O)C(F)(F)F.COc1cc2ncnc(Cl)c2cc1OC1CCC2(CC1)C(=O)NCCN2C(=O)C(F)(F)F.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCC2(CC1)C(=O)N(C(=O)OC(C)(C)C)CCN2C(=O)C(F)(F)F.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCC2(CC1)C(=O)NCCN2C(=O)C(F)(F)F.I.N.Nc1cccc(Cl)c1F.Nc1cccc(Cl)c1F.O.[H-].[H][H].[K+].
What is the InChIKey of potassium;azane;tert-butyl 9-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[(7-methoxy-4-oxo-3H-quinazolin-6-yl)oxy]-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;bis(3-chloro-2-fluoroaniline);9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;hydride;molecular hydrogen;hydrate;hydroiodide?
The InChIKey is QSENCGFKMDHHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N4O7.C31H32ClF4N5O6.C26H24ClF4N5O4.C25H28ClF3N4O6.C25H29F3N4O7.C20H20ClF3N4O4.2C6H5ClFN.HI.K.H3N.H2O.H2.H/c1-30(2,3)46-29(43)38-14-15-39(28(42)32(33,34)35)31(27(38)41)12-10-21(11-13-31)45-25-16-22-23(17-24(25)44-4)36-19-37(26(22)40)18-20-8-6-5-7-9-20;1-29(2,3)47-28(44)40-12-13-41(27(43)31(34,35)36)30(26(40)42)10-8-17(9-11-30)46-23-14-18-21(15-22(23)45-4)37-16-38-25(18)39-20-7-5-6-19(32)24(20)33;1-39-19-12-18-15(22(34-13-33-18)35-17-4-2-3-16(27)21(17)28)11-20(19)40-14-5-7-25(8-6-14)23(37)32-9-10-36(25)24(38)26(29,30)31;1-23(2,3)39-22(36)32-9-10-33(21(35)25(27,28)29)24(20(32)34)7-5-14(6-8-24)38-18-11-15-16(12-17(18)37-4)30-13-31-19(15)26;1-23(2,3)39-22(36)31-9-10-32(21(35)25(26,27)28)24(20(31)34)7-5-14(6-8-24)38-18-11-15-16(12-17(18)37-4)29-13-30-19(15)33;1-31-14-9-13-12(16(21)27-10-26-13)8-15(14)32-11-2-4-19(5-3-11)17(29)25-6-7-28(19)18(30)20(22,23)24;2*7-4-2-1-3-5(9)6(4)8;;;;;;/h5-9,16-17,19,21H,10-15,18H2,1-4H3;5-7,14-17H,8-13H2,1-4H3,(H,37,38,39);2-4,11-14H,5-10H2,1H3,(H,32,37)(H,33,34,35);11-14H,5-10H2,1-4H3;11-14H,5-10H2,1-4H3,(H,29,30,33);8-11H,2-7H2,1H3,(H,25,29);2*1-3H,9H2;1H;;1H3;1H2;1H;/q;;;;;;;;;+1;;;;-1.
What are the key properties of potassium;azane;tert-butyl 9-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[(7-methoxy-4-oxo-3H-quinazolin-6-yl)oxy]-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;bis(3-chloro-2-fluoroaniline);9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;hydride;molecular hydrogen;hydrate;hydroiodide?
potassium;azane;tert-butyl 9-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[(7-methoxy-4-oxo-3H-quinazolin-6-yl)oxy]-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;bis(3-chloro-2-fluoroaniline);9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;hydride;molecular hydrogen;hydrate;hydroiodide has a molecular weight of 4005.22 g/mol, XLogP of 27.83, 24 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;azane;tert-butyl 9-(3-benzyl-7-methoxy-4-oxoquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;tert-butyl 9-[(7-methoxy-4-oxo-3H-quinazolin-6-yl)oxy]-5-oxo-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecane-4-carboxylate;bis(3-chloro-2-fluoroaniline);9-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;9-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-(2,2,2-trifluoroacetyl)-1,4-diazaspiro[5.5]undecan-5-one;hydride;molecular hydrogen;hydrate;hydroiodide is sourced from PubChem (CID 158673908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).