About (2E)-2-(cyclopropylmethylidene)-4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-oxobutanenitrile;[5-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]methanol;1-[4-[4-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;3-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[3-(4-methylsulfonylbutyl)pyrrol-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(3-oxa-1-azaspiro[4.4]non-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine
(2E)-2-(cyclopropylmethylidene)-4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-oxobutanenitrile;[5-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]methanol;1-[4-[4-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;3-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[3-(4-methylsulfonylbutyl)pyrrol-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(3-oxa-1-azaspiro[4.4]non-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine (PubChem CID 158420445) has the molecular formula C188H164FN55O17S
and a molecular weight of 3516.81 g/mol. Its IUPAC name is (2E)-2-(cyclopropylmethylidene)-4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-oxobutanenitrile;[5-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]methanol;1-[4-[4-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;3-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[3-(4-methylsulfonylbutyl)pyrrol-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(3-oxa-1-azaspiro[4.4]non-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine.
Frequently Asked Questions
What is the IUPAC name of (2E)-2-(cyclopropylmethylidene)-4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-oxobutanenitrile;[5-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]methanol;1-[4-[4-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;3-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[3-(4-methylsulfonylbutyl)pyrrol-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(3-oxa-1-azaspiro[4.4]non-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine?
The IUPAC name of (2E)-2-(cyclopropylmethylidene)-4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-oxobutanenitrile;[5-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]methanol;1-[4-[4-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;3-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[3-(4-methylsulfonylbutyl)pyrrol-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(3-oxa-1-azaspiro[4.4]non-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine (CID 158420445) is (2E)-2-(cyclopropylmethylidene)-4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-oxobutanenitrile;[5-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]methanol;1-[4-[4-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;3-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[3-(4-methylsulfonylbutyl)pyrrol-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(3-oxa-1-azaspiro[4.4]non-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine.
What is the SMILES notation for (2E)-2-(cyclopropylmethylidene)-4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-oxobutanenitrile;[5-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]methanol;1-[4-[4-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;3-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[3-(4-methylsulfonylbutyl)pyrrol-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(3-oxa-1-azaspiro[4.4]non-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine?
The canonical SMILES for (2E)-2-(cyclopropylmethylidene)-4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-oxobutanenitrile;[5-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]methanol;1-[4-[4-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;3-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[3-(4-methylsulfonylbutyl)pyrrol-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(3-oxa-1-azaspiro[4.4]non-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine is C=C(C)C(=O)Cc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1.C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Oc5cc6nncn6cn5)c(F)c4)ncnc3cc2OC)CC1.CC1(C)COC(Cc2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(CO)c4)c3c2)=N1.Cc1cc(Nc2ncnc3ccc(-n4ccc(CCCCS(C)(=O)=O)c4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-n4cccc4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)/C(C#N)=C/C4CC4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC5(CCCC5)CO4)cc23)ccc1Oc1cc2nncn2cn1.
What is the InChIKey of (2E)-2-(cyclopropylmethylidene)-4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-oxobutanenitrile;[5-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]methanol;1-[4-[4-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;3-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[3-(4-methylsulfonylbutyl)pyrrol-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(3-oxa-1-azaspiro[4.4]non-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine?
The InChIKey is HAKRQXDAHHAVSH-YMLQDCEYSA-N. The full InChI is InChI=1S/C29H28N8O3S.C28H25FN8O4.C28H26N8O2.C28H22N8O2.C26H24N8O3.C25H21N7O2.C24H18N8O/c1-20-13-22(6-9-26(20)40-28-15-27-35-33-19-37(27)18-32-28)34-29-24-14-23(7-8-25(24)30-17-31-29)36-11-10-21(16-36)5-3-4-12-41(2,38)39;1-3-27(38)36-8-6-18(7-9-36)40-24-11-19-21(12-23(24)39-2)30-14-31-28(19)34-17-4-5-22(20(29)10-17)41-26-13-25-35-33-16-37(25)15-32-26;1-18-10-20(5-7-23(18)38-25-13-24-35-32-17-36(24)16-31-25)33-27-21-11-19(4-6-22(21)29-15-30-27)12-26-34-28(14-37-26)8-2-3-9-28;1-17-8-21(5-7-25(17)38-27-12-26-35-33-16-36(26)15-32-27)34-28-22-10-19(4-6-23(22)30-14-31-28)11-24(37)20(13-29)9-18-2-3-18;1-26(2)12-36-24(32-26)8-16-3-5-20-19(7-16)25(28-13-27-20)31-18-4-6-21(17(9-18)11-35)37-23-10-22-33-30-15-34(22)14-29-23;1-15(2)21(33)10-17-4-6-20-19(9-17)25(27-12-26-20)30-18-5-7-22(16(3)8-18)34-24-11-23-31-29-14-32(23)13-28-24;1-16-10-17(4-7-21(16)33-23-12-22-30-28-15-32(22)14-27-23)29-24-19-11-18(31-8-2-3-9-31)5-6-20(19)25-13-26-24/h6-11,13-19H,3-5,12H2,1-2H3,(H,30,31,34);3-5,10-16,18H,1,6-9H2,2H3,(H,30,31,34);4-7,10-11,13,15-17H,2-3,8-9,12,14H2,1H3,(H,29,30,33);4-10,12,14-16,18H,2-3,11H2,1H3,(H,30,31,34);3-7,9-10,13-15,35H,8,11-12H2,1-2H3,(H,27,28,31);4-9,11-14H,1,10H2,2-3H3,(H,26,27,30);2-15H,1H3,(H,25,26,29)/b;;;20-9+;;;.
What are the key properties of (2E)-2-(cyclopropylmethylidene)-4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-oxobutanenitrile;[5-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]methanol;1-[4-[4-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;3-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[3-(4-methylsulfonylbutyl)pyrrol-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(3-oxa-1-azaspiro[4.4]non-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine?
(2E)-2-(cyclopropylmethylidene)-4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-oxobutanenitrile;[5-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]methanol;1-[4-[4-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;3-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[3-(4-methylsulfonylbutyl)pyrrol-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(3-oxa-1-azaspiro[4.4]non-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine has a molecular weight of 3516.81 g/mol, XLogP of 32.60, 51 rotatable bonds, 8 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(cyclopropylmethylidene)-4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-oxobutanenitrile;[5-[[6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-yl]amino]-2-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]methanol;1-[4-[4-[3-fluoro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;3-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;6-[3-(4-methylsulfonylbutyl)pyrrol-1-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(3-oxa-1-azaspiro[4.4]non-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine is sourced from PubChem (CID 158420445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).