About 6-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide
6-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide (PubChem CID 158444408) has the molecular formula C157H139F2N47O12S
and a molecular weight of 2946.22 g/mol. Its IUPAC name is 6-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide.
Frequently Asked Questions
What is the IUPAC name of 6-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide?
The IUPAC name of 6-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide (CID 158444408) is 6-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide.
What is the SMILES notation for 6-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide?
The canonical SMILES for 6-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide is C=C(F)C(=O)Cc1cc2c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)ncnc2cc1F.C=CC(=O)Cc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CCCCS(C)(=O)=O)n4C)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(/C=C/CNC(=O)C4CC4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NCC(C)(C)N4)cc23)ccc1Oc1cc2nncn2cn1.
What is the InChIKey of 6-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide?
The InChIKey is HDFCFLFPIVPEQE-KFVSKESYSA-N. The full InChI is InChI=1S/C30H30N8O3S.C27H24N8O2.C26H25N9O.C26H24N8O2.C24H17F2N7O2.C24H19N7O2/c1-20-14-22(8-12-27(20)41-29-16-28-36-34-19-38(28)18-33-29)35-30-24-15-21(7-10-25(24)31-17-32-30)26-11-9-23(37(26)2)6-4-5-13-42(3,39)40;1-17-11-20(7-9-23(17)37-25-13-24-34-32-16-35(24)15-31-25)33-26-21-12-18(4-8-22(21)29-14-30-26)3-2-10-28-27(36)19-5-6-19;1-16-8-18(5-7-21(16)36-24-11-23-34-31-15-35(23)14-30-24)32-25-19-9-17(4-6-20(19)28-13-29-25)10-22-27-12-26(2,3)33-22;1-16-8-18(5-7-21(16)36-23-11-22-33-30-15-34(22)14-29-23)31-25-19-9-17(4-6-20(19)27-13-28-25)10-24-32-26(2,3)12-35-24;1-13-5-16(3-4-21(13)35-23-9-22-32-30-12-33(22)11-29-23)31-24-17-6-15(7-20(34)14(2)25)18(26)8-19(17)27-10-28-24;1-3-18(32)9-16-4-6-20-19(10-16)24(26-12-25-20)29-17-5-7-21(15(2)8-17)33-23-11-22-30-28-14-31(22)13-27-23/h7-12,14-19H,4-6,13H2,1-3H3,(H,31,32,35);2-4,7-9,11-16,19H,5-6,10H2,1H3,(H,28,36)(H,29,30,33);4-9,11,13-15H,10,12H2,1-3H3,(H,27,33)(H,28,29,32);4-9,11,13-15H,10,12H2,1-3H3,(H,27,28,31);3-6,8-12H,2,7H2,1H3,(H,27,28,31);3-8,10-14H,1,9H2,2H3,(H,25,26,29)/b;3-2+;;;;.
What are the key properties of 6-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide?
6-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide has a molecular weight of 2946.22 g/mol, XLogP of 27.49, 44 rotatable bonds, 8 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;3-fluoro-1-[7-fluoro-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[1-methyl-5-(4-methylsulfonylbutyl)pyrrol-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]cyclopropanecarboxamide is sourced from PubChem (CID 158444408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).