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;N-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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
1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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 (PubChem CID 161259899) has the molecular formula C152H122Cl2F4N46O11S2
and a molecular weight of 2979.99 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;N-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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.
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;N-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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?
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;N-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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 (CID 161259899) 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;N-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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.
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;N-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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?
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;N-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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 is CC1(C)COC(Cc2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C(F)(F)F)c4)c3c2)=N1.CC1(C)COC(Cc2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(Cl)c4)c3c2)=N1.Cc1cc(Nc2ncnc3ccc(-c4cc[nH]c4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CNCCS(C)(=O)=O)s4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4cccc(F)c4)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;N-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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?
The InChIKey is VCKMEYZRWAUTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O3S2.C26H21F3N8O2.C26H18FN7O.C25H21ClN8O2.C24H18N8O.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;1-16-9-20(6-8-23(16)35-25-12-24-33-31-15-34(24)14-30-25)32-26-21-11-18(5-7-22(21)28-13-29-26)17-3-2-4-19(27)10-17;1-25(2)11-35-23(32-25)8-15-3-5-19-17(7-15)24(28-12-27-19)31-16-4-6-20(18(26)9-16)36-22-10-21-33-30-14-34(21)13-29-22;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;1-14-6-16(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);2-15H,1H3,(H,28,29,32);3-7,9-10,12-14H,8,11H2,1-2H3,(H,27,28,31);2-14,25H,1H3,(H,26,27,30);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;N-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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?
1-chloro-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;N-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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 has a molecular weight of 2979.99 g/mol, XLogP of 30.04, 39 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;N-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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 is sourced from PubChem (CID 161259899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).