About 1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-(trifluoromethyl)phenyl]quinazolin-4-amine;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-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-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-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine
1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-(trifluoromethyl)phenyl]quinazolin-4-amine;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-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-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-(1H-pyrrol-3-yl)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 159433002) has the molecular formula C150H122ClF3N46O11S2
and a molecular weight of 2901.52 g/mol. Its IUPAC name is 1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-(trifluoromethyl)phenyl]quinazolin-4-amine;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-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-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-(1H-pyrrol-3-yl)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 1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-(trifluoromethyl)phenyl]quinazolin-4-amine;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-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-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-(1H-pyrrol-3-yl)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 1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-(trifluoromethyl)phenyl]quinazolin-4-amine;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-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-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-(1H-pyrrol-3-yl)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 159433002) is 1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-(trifluoromethyl)phenyl]quinazolin-4-amine;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-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-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-(1H-pyrrol-3-yl)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 1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-(trifluoromethyl)phenyl]quinazolin-4-amine;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-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-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-(1H-pyrrol-3-yl)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 1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-(trifluoromethyl)phenyl]quinazolin-4-amine;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-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-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-(1H-pyrrol-3-yl)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.CC1(C)COC(Cc2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C(F)(F)F)c4)c3c2)=N1.Cc1cc(Nc2ncnc3ccc(-c4cc[nH]c4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CNCCS(C)(=O)=O)s4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-n4cccc4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)CCl)cc23)ccc1Oc1cc2nncn2cn1.
What is the InChIKey of 1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-(trifluoromethyl)phenyl]quinazolin-4-amine;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-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-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-(1H-pyrrol-3-yl)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 LRFJUUGIOHHJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O3S2.C26H21F3N8O2.C25H21N7O2.2C24H18N8O.C23H18ClN7O2/c1-18-11-20(4-7-24(18)39-27-13-26-35-33-17-36(26)16-32-27)34-28-22-12-19(3-6-23(22)30-15-31-28)25-8-5-21(40-25)14-29-9-10-41(2,37)38;1-25(2)11-38-23(35-25)8-15-3-5-19-17(7-15)24(31-12-30-19)34-16-4-6-20(18(9-16)26(27,28)29)39-22-10-21-36-33-14-37(21)13-32-22;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;1-15-8-18(3-5-21(15)33-23-10-22-31-29-14-32(22)13-28-23)30-24-19-9-16(17-6-7-25-11-17)2-4-20(19)26-12-27-24;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;1-14-6-16(3-5-20(14)33-22-9-21-30-28-13-31(21)12-27-22)29-23-18-8-15(7-17(32)10-24)2-4-19(18)25-11-26-23/h3-8,11-13,15-17,29H,9-10,14H2,1-2H3,(H,30,31,34);3-7,9-10,12-14H,8,11H2,1-2H3,(H,30,31,34);4-9,11-14H,1,10H2,2-3H3,(H,26,27,30);2-14,25H,1H3,(H,26,27,30);2-15H,1H3,(H,25,26,29);2-6,8-9,11-13H,7,10H2,1H3,(H,25,26,29).
What are the key properties of 1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-(trifluoromethyl)phenyl]quinazolin-4-amine;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-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-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-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-pyrrol-1-ylquinazolin-4-amine?
1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-(trifluoromethyl)phenyl]quinazolin-4-amine;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-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-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-(1H-pyrrol-3-yl)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 2901.52 g/mol, XLogP of 28.62, 40 rotatable bonds, 8 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)-3-(trifluoromethyl)phenyl]quinazolin-4-amine;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-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-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-(1H-pyrrol-3-yl)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 159433002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).