About (E)-4-(dimethylamino)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]but-2-enamide;1-(1,5-dimethylpyrazol-3-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;2-fluoro-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;1-(4-methyl-1,3-oxazol-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(6-oxa-4-azaspiro[2.4]hept-4-en-5-ylmethyl)quinazolin-4-amine
(E)-4-(dimethylamino)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]but-2-enamide;1-(1,5-dimethylpyrazol-3-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;2-fluoro-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;1-(4-methyl-1,3-oxazol-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(6-oxa-4-azaspiro[2.4]hept-4-en-5-ylmethyl)quinazolin-4-amine (PubChem CID 159564020) has the molecular formula C171H141FN50O13
and a molecular weight of 3123.34 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]but-2-enamide;1-(1,5-dimethylpyrazol-3-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;2-fluoro-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;1-(4-methyl-1,3-oxazol-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(6-oxa-4-azaspiro[2.4]hept-4-en-5-ylmethyl)quinazolin-4-amine.
Frequently Asked Questions
What is the IUPAC name of (E)-4-(dimethylamino)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]but-2-enamide;1-(1,5-dimethylpyrazol-3-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;2-fluoro-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;1-(4-methyl-1,3-oxazol-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(6-oxa-4-azaspiro[2.4]hept-4-en-5-ylmethyl)quinazolin-4-amine?
The IUPAC name of (E)-4-(dimethylamino)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]but-2-enamide;1-(1,5-dimethylpyrazol-3-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;2-fluoro-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;1-(4-methyl-1,3-oxazol-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(6-oxa-4-azaspiro[2.4]hept-4-en-5-ylmethyl)quinazolin-4-amine (CID 159564020) is (E)-4-(dimethylamino)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]but-2-enamide;1-(1,5-dimethylpyrazol-3-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;2-fluoro-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;1-(4-methyl-1,3-oxazol-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(6-oxa-4-azaspiro[2.4]hept-4-en-5-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]but-2-enamide;1-(1,5-dimethylpyrazol-3-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;2-fluoro-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;1-(4-methyl-1,3-oxazol-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(6-oxa-4-azaspiro[2.4]hept-4-en-5-ylmethyl)quinazolin-4-amine?
The canonical SMILES for (E)-4-(dimethylamino)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]but-2-enamide;1-(1,5-dimethylpyrazol-3-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;2-fluoro-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;1-(4-methyl-1,3-oxazol-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(6-oxa-4-azaspiro[2.4]hept-4-en-5-ylmethyl)quinazolin-4-amine is C=C(F)C(=O)Nc1cccc(-c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)c1.C=CC(=O)Nc1cccc(-c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)c1.Cc1cc(Nc2ncnc3ccc(-c4cccc(NC(=O)/C=C/CN(C)C)c4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)Cc4cc(C)n(C)n4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC5(CC5)CO4)cc23)ccc1Oc1cc2nncn2cn1.Cc1coc(CC(=O)Cc2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)n1.
What is the InChIKey of (E)-4-(dimethylamino)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]but-2-enamide;1-(1,5-dimethylpyrazol-3-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;2-fluoro-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;1-(4-methyl-1,3-oxazol-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(6-oxa-4-azaspiro[2.4]hept-4-en-5-ylmethyl)quinazolin-4-amine?
The InChIKey is MGZBNROQMCHMCP-MNNJGWOSSA-N. The full InChI is InChI=1S/C32H29N9O2.C29H21FN8O2.C29H22N8O2.C28H25N9O2.C27H22N8O3.C26H22N8O2/c1-21-14-25(10-12-28(21)43-31-17-29-39-36-20-41(29)19-35-31)38-32-26-16-23(9-11-27(26)33-18-34-32)22-6-4-7-24(15-22)37-30(42)8-5-13-40(2)3;1-17-10-22(7-9-25(17)40-27-13-26-37-34-16-38(26)15-33-27)35-28-23-12-20(6-8-24(23)31-14-32-28)19-4-3-5-21(11-19)36-29(39)18(2)30;1-3-27(38)34-21-6-4-5-19(12-21)20-7-9-24-23(13-20)29(31-15-30-24)35-22-8-10-25(18(2)11-22)39-28-14-26-36-33-17-37(26)16-32-28;1-17-8-20(5-7-25(17)39-27-13-26-34-32-16-37(26)15-31-27)33-28-23-11-19(4-6-24(23)29-14-30-28)10-22(38)12-21-9-18(2)36(3)35-21;1-16-7-19(4-6-23(16)38-25-11-24-34-31-15-35(24)14-30-25)33-27-21-9-18(3-5-22(21)28-13-29-27)8-20(36)10-26-32-17(2)12-37-26;1-16-8-18(3-5-21(16)36-23-11-22-33-30-15-34(22)14-29-23)31-25-19-9-17(2-4-20(19)27-13-28-25)10-24-32-26(6-7-26)12-35-24/h4-12,14-20H,13H2,1-3H3,(H,37,42)(H,33,34,38);3-16H,2H2,1H3,(H,36,39)(H,31,32,35);3-17H,1H2,2H3,(H,34,38)(H,30,31,35);4-9,11,13-16H,10,12H2,1-3H3,(H,29,30,33);3-7,9,11-15H,8,10H2,1-2H3,(H,28,29,33);2-5,8-9,11,13-15H,6-7,10,12H2,1H3,(H,27,28,31)/b8-5+;;;;;.
What are the key properties of (E)-4-(dimethylamino)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]but-2-enamide;1-(1,5-dimethylpyrazol-3-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;2-fluoro-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;1-(4-methyl-1,3-oxazol-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(6-oxa-4-azaspiro[2.4]hept-4-en-5-ylmethyl)quinazolin-4-amine?
(E)-4-(dimethylamino)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]but-2-enamide;1-(1,5-dimethylpyrazol-3-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;2-fluoro-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;1-(4-methyl-1,3-oxazol-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(6-oxa-4-azaspiro[2.4]hept-4-en-5-ylmethyl)quinazolin-4-amine has a molecular weight of 3123.34 g/mol, XLogP of 30.63, 45 rotatable bonds, 9 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]but-2-enamide;1-(1,5-dimethylpyrazol-3-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;2-fluoro-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;1-(4-methyl-1,3-oxazol-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(6-oxa-4-azaspiro[2.4]hept-4-en-5-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 159564020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).