About 6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonamide;phenyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate
6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonamide;phenyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate (PubChem CID 158021899) has the molecular formula C171H153N49O21S4
and a molecular weight of 3358.69 g/mol. Its IUPAC name is 6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonamide;phenyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate.
Frequently Asked Questions
What is the IUPAC name of 6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonamide;phenyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate?
The IUPAC name of 6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonamide;phenyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate (CID 158021899) is 6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonamide;phenyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate.
What is the SMILES notation for 6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonamide;phenyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate?
The canonical SMILES for 6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonamide;phenyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate is Cc1cc(Nc2ncnc3ccc(-c4cc(CN5CCS(=O)(=O)CC5)co4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4cc(CNCCS(C)(=O)=O)co4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CN5CCN(C)CC5)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CN5CCS(=O)(=O)CC5)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CNCCS(N)(=O)=O)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC(=O)Oc4ccccc4)cc23)ccc1Oc1cc2nncn2cn1.
What is the InChIKey of 6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonamide;phenyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate?
The InChIKey is FGDSJQDCCKJANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N9O2.2C29H26N8O4S.C28H26N8O4S.C28H21N7O3.C27H25N9O4S/c1-20-13-22(4-7-26(20)41-29-15-28-36-34-19-39(28)18-33-29)35-30-24-14-21(3-6-25(24)31-17-32-30)27-8-5-23(40-27)16-38-11-9-37(2)10-12-38;1-19-12-21(3-6-25(19)41-28-14-27-35-33-18-37(27)17-32-28)34-29-23-13-20(2-5-24(23)30-16-31-29)26-7-4-22(40-26)15-36-8-10-42(38,39)11-9-36;1-19-10-22(3-5-25(19)41-28-13-27-35-33-18-37(27)17-32-28)34-29-23-12-21(2-4-24(23)30-16-31-29)26-11-20(15-40-26)14-36-6-8-42(38,39)9-7-36;1-18-9-21(4-6-24(18)40-27-12-26-35-33-17-36(26)16-32-27)34-28-22-11-20(3-5-23(22)30-15-31-28)25-10-19(14-39-25)13-29-7-8-41(2,37)38;1-18-11-20(8-10-24(18)38-26-14-25-34-32-17-35(25)16-31-26)33-28-22-12-19(7-9-23(22)29-15-30-28)13-27(36)37-21-5-3-2-4-6-21;1-17-10-19(3-6-23(17)40-26-12-25-35-33-16-36(25)15-32-26)34-27-21-11-18(2-5-22(21)30-14-31-27)24-7-4-20(39-24)13-29-8-9-41(28,37)38/h3-8,13-15,17-19H,9-12,16H2,1-2H3,(H,31,32,35);2-7,12-14,16-18H,8-11,15H2,1H3,(H,30,31,34);2-5,10-13,15-18H,6-9,14H2,1H3,(H,30,31,34);3-6,9-12,14-17,29H,7-8,13H2,1-2H3,(H,30,31,34);2-12,14-17H,13H2,1H3,(H,29,30,33);2-7,10-12,14-16,29H,8-9,13H2,1H3,(H2,28,37,38)(H,30,31,34).
What are the key properties of 6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonamide;phenyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate?
6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonamide;phenyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate has a molecular weight of 3358.69 g/mol, XLogP of 26.64, 48 rotatable bonds, 9 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonamide;phenyl 2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetate is sourced from PubChem (CID 158021899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).