About 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;(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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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;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-[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-(1H-pyrrol-3-yl)quinazolin-4-amine
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;(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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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;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-[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-(1H-pyrrol-3-yl)quinazolin-4-amine (PubChem CID 161058127) has the molecular formula C191H156ClFN56O14S2
and a molecular weight of 3578.31 g/mol. Its IUPAC name is 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;(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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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;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-[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-(1H-pyrrol-3-yl)quinazolin-4-amine.
Frequently Asked Questions
What is the IUPAC name of 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;(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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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;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-[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-(1H-pyrrol-3-yl)quinazolin-4-amine?
The IUPAC name of 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;(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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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;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-[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-(1H-pyrrol-3-yl)quinazolin-4-amine (CID 161058127) is 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;(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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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;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-[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-(1H-pyrrol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 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;(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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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;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-[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-(1H-pyrrol-3-yl)quinazolin-4-amine?
The canonical SMILES for 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;(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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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;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-[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-(1H-pyrrol-3-yl)quinazolin-4-amine is C=CC(=O)Nc1cccc(-c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)c1.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(-c4cccc(NC(=O)/C=C/CN(C)C)c4)cc23)ccc1Oc1cc2nncn2cn1.Cc1coc(CC(=O)Cc2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)n1.
What is the InChIKey of 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;(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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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;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-[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-(1H-pyrrol-3-yl)quinazolin-4-amine?
The InChIKey is UDAJAZBQTOMKFN-JPQDCGGWSA-N. The full InChI is InChI=1S/C32H29N9O2.C29H22N8O2.C28H26N8O3S2.C27H22N8O3.C26H18FN7O.C25H21ClN8O2.C24H18N8O/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;1-3-27(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;1-18-11-20(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;1-16-7-19(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;1-16-9-20(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/h4-12,14-20H,13H2,1-3H3,(H,37,42)(H,33,34,38);3-17H,1H2,2H3,(H,34,38)(H,30,31,35);3-8,11-13,15-17,29H,9-10,14H2,1-2H3,(H,30,31,34);3-7,9,11-15H,8,10H2,1-2H3,(H,28,29,33);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)/b8-5+;;;;;;.
What are the key properties of 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;(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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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;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-[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-(1H-pyrrol-3-yl)quinazolin-4-amine?
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;(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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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;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-[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-(1H-pyrrol-3-yl)quinazolin-4-amine has a molecular weight of 3578.31 g/mol, XLogP of 36.31, 50 rotatable bonds, 11 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 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;(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;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;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;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-[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-(1H-pyrrol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 161058127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).