About 6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide
6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 161483380) has the molecular formula C172H149F2N51O14
and a molecular weight of 3192.42 g/mol. Its IUPAC name is 6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide.
Frequently Asked Questions
What is the IUPAC name of 6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of 6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide (CID 161483380) is 6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for 6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for 6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide is CCNC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1.CCNC(=O)Nc1cccc(-c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)c1.Cc1cc(Nc2ncnc3ccc(-c4cccc(NC(=O)/C=C/c5cccnc5)c4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC5(CCOCC5)CO4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NC5(CO4)CC(F)(F)C5)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(CC4=NCC5(CCOCC5)O4)cc23)ccc1Oc1cc2nncn2cn1.
What is the InChIKey of 6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is WEQURGGCDCTCDK-WWTSYBKSSA-N. The full InChI is InChI=1S/C34H25N9O2.C29H25N9O2.2C28H26N8O3.C27H22F2N8O2.C26H25N9O2/c1-22-14-27(9-11-30(22)45-33-17-31-42-39-21-43(31)20-38-33)41-34-28-16-25(8-10-29(28)36-19-37-34)24-5-2-6-26(15-24)40-32(44)12-7-23-4-3-13-35-18-23;1-3-30-29(39)36-21-6-4-5-19(12-21)20-7-9-24-23(13-20)28(32-15-31-24)35-22-8-10-25(18(2)11-22)40-27-14-26-37-34-17-38(26)16-33-27;1-18-10-20(3-5-23(18)39-25-13-24-35-32-17-36(24)16-31-25)33-27-21-11-19(2-4-22(21)29-15-30-27)12-26-34-28(14-38-26)6-8-37-9-7-28;1-18-10-20(3-5-23(18)38-25-13-24-35-33-17-36(24)16-32-25)34-27-21-11-19(2-4-22(21)30-15-31-27)12-26-29-14-28(39-26)6-8-37-9-7-28;1-16-6-18(3-5-21(16)39-23-9-22-36-33-15-37(22)14-32-23)34-25-19-7-17(2-4-20(19)30-13-31-25)8-24-35-26(12-38-24)10-27(28,29)11-26;1-3-27-26(36)28-10-4-5-18-6-8-21-20(12-18)25(30-14-29-21)33-19-7-9-22(17(2)11-19)37-24-13-23-34-32-16-35(23)15-31-24/h2-21H,1H3,(H,40,44)(H,36,37,41);4-17H,3H2,1-2H3,(H2,30,36,39)(H,31,32,35);2-5,10-11,13,15-17H,6-9,12,14H2,1H3,(H,29,30,33);2-5,10-11,13,15-17H,6-9,12,14H2,1H3,(H,30,31,34);2-7,9,13-15H,8,10-12H2,1H3,(H,30,31,34);4-9,11-16H,3,10H2,1-2H3,(H2,27,28,36)(H,29,30,33)/b12-7+;;;;;5-4+.
What are the key properties of 6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide?
6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 3192.42 g/mol, XLogP of 30.51, 41 rotatable bonds, 11 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 161483380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).