1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide

C393H373Cl27F20N64O50 — CID 161049967

IUPAC1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide
SMILESC=CC(=O)N1C2CCC1CC(Nc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Nc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(C(F)(F)F)c(Cl)c4)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC(F)F)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC1CCOC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC1CCOC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC1COC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCC(=O)NC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCCN1CCOCC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCCO)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCO)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1CC2CC1CC2Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC.C=CC(=O)N1CC2CC1CC2Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC
InChIInChI=1S/C31H34Cl2FN5O4.2C28H27Cl2FN4O4.C27H26Cl2FN5O4.C27H25Cl2FN4O4.C27H27Cl2FN4O4.C26H25Cl2FN4O4.C26H24ClF3N4O3.C25H21Cl2F3N4O3.2C25H24Cl2FN5O2.C25H23ClF2N4O3.C25H24ClFN4O3.2C24H21Cl2FN4O3/c1-2-28(40)39-19-4-5-20(39)15-21(14-19)43-27-16-22-25(17-26(27)42-11-3-8-38-9-12-41-13-10-38)35-18-36-31(22)37-24-7-6-23(32)29(33)30(24)34;2*1-2-25(36)35-15-3-4-16(35)10-18(9-15)39-23-11-19-22(12-24(23)38-17-7-8-37-13-17)32-14-33-28(19)34-21-6-5-20(29)26(30)27(21)31;1-3-24(37)35-14-4-5-15(35)9-16(8-14)39-22-10-17-20(11-21(22)38-12-23(36)31-2)32-13-33-27(17)34-19-7-6-18(28)25(29)26(19)30;1-2-24(35)34-14-3-4-15(34)8-16(7-14)37-22-9-18-21(10-23(22)38-17-11-36-12-17)31-13-32-27(18)33-20-6-5-19(28)25(29)26(20)30;1-2-24(36)34-15-4-5-16(34)11-17(10-15)38-23-12-18-21(13-22(23)37-9-3-8-35)31-14-32-27(18)33-20-7-6-19(28)25(29)26(20)30;1-2-23(35)33-14-3-4-15(33)10-16(9-14)37-22-11-17-20(12-21(22)36-8-7-34)30-13-31-26(17)32-19-6-5-18(27)24(28)25(19)29;1-3-24(35)34-15-5-6-16(34)10-17(9-15)37-23-11-18-21(12-22(23)36-2)31-13-32-25(18)33-14-4-7-19(20(27)8-14)26(28,29)30;1-2-21(35)34-12-3-4-13(34)8-14(7-12)36-19-9-15-18(10-20(19)37-25(29)30)31-11-32-24(15)33-17-6-5-16(26)22(27)23(17)28;2*1-3-22(34)33-14-4-5-15(33)9-13(8-14)31-20-10-16-19(11-21(20)35-2)29-12-30-25(16)32-18-7-6-17(26)23(27)24(18)28;1-3-22(33)32-13-4-5-14(32)9-15(8-13)35-21-10-16-19(11-20(21)34-2)29-12-30-25(16)31-18-7-6-17(27)23(26)24(18)28;1-3-24(32)31-15-5-6-16(31)10-17(9-15)34-23-11-18-21(12-22(23)33-2)28-13-29-25(18)30-14-4-7-20(27)19(26)8-14;2*1-3-21(32)31-10-12-6-13(31)7-18(12)34-20-8-14-17(9-19(20)33-2)28-11-29-24(14)30-16-5-4-15(25)22(26)23(16)27/h2,6-7,16-21H,1,3-5,8-15H2,(H,35,36,37);2*2,5-6,11-12,14-18H,1,3-4,7-10,13H2,(H,32,33,34);3,6-7,10-11,13-16H,1,4-5,8-9,12H2,2H3,(H,31,36)(H,32,33,34);2,5-6,9-10,13-17H,1,3-4,7-8,11-12H2,(H,31,32,33);2,6-7,12-17,35H,1,3-5,8-11H2,(H,31,32,33);2,5-6,11-16,34H,1,3-4,7-10H2,(H,30,31,32);3-4,7-8,11-13,15-17H,1,5-6,9-10H2,2H3,(H,31,32,33);2,5-6,9-14,25H,1,3-4,7-8H2,(H,31,32,33);2*3,6-7,10-15,31H,1,4-5,8-9H2,2H3,(H,29,30,32);3,6-7,10-15H,1,4-5,8-9H2,2H3,(H,29,30,31);3-4,7-8,11-13,15-17H,1,5-6,9-10H2,2H3,(H,28,29,30);2*3-5,8-9,11-13,18H,1,6-7,10H2,2H3,(H,28,29,30)
InChIKeyUBZWBDLWIZRWRH-UHFFFAOYSA-N
MW8129.90 g/mol
LogP85.78
Rot. Bonds105

About 1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide

1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide (PubChem CID 161049967) has the molecular formula C393H373Cl27F20N64O50 and a molecular weight of 8129.90 g/mol. Its IUPAC name is 1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide.

Molecular Properties

Compound Name1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide
PubChem CID161049967
Molecular FormulaC393H373Cl27F20N64O50
Molecular Weight8129.90 g/mol
Exact Mass8111.99
IUPAC Name1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide
SMILESC=CC(=O)N1C2CCC1CC(Nc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Nc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(C(F)(F)F)c(Cl)c4)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC(F)F)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC1CCOC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC1CCOC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC1COC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCC(=O)NC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCCN1CCOCC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCCO)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCO)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1CC2CC1CC2Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC.C=CC(=O)N1CC2CC1CC2Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC
InChIInChI=1S/C31H34Cl2FN5O4.2C28H27Cl2FN4O4.C27H26Cl2FN5O4.C27H25Cl2FN4O4.C27H27Cl2FN4O4.C26H25Cl2FN4O4.C26H24ClF3N4O3.C25H21Cl2F3N4O3.2C25H24Cl2FN5O2.C25H23ClF2N4O3.C25H24ClFN4O3.2C24H21Cl2FN4O3/c1-2-28(40)39-19-4-5-20(39)15-21(14-19)43-27-16-22-25(17-26(27)42-11-3-8-38-9-12-41-13-10-38)35-18-36-31(22)37-24-7-6-23(32)29(33)30(24)34;2*1-2-25(36)35-15-3-4-16(35)10-18(9-15)39-23-11-19-22(12-24(23)38-17-7-8-37-13-17)32-14-33-28(19)34-21-6-5-20(29)26(30)27(21)31;1-3-24(37)35-14-4-5-15(35)9-16(8-14)39-22-10-17-20(11-21(22)38-12-23(36)31-2)32-13-33-27(17)34-19-7-6-18(28)25(29)26(19)30;1-2-24(35)34-14-3-4-15(34)8-16(7-14)37-22-9-18-21(10-23(22)38-17-11-36-12-17)31-13-32-27(18)33-20-6-5-19(28)25(29)26(20)30;1-2-24(36)34-15-4-5-16(34)11-17(10-15)38-23-12-18-21(13-22(23)37-9-3-8-35)31-14-32-27(18)33-20-7-6-19(28)25(29)26(20)30;1-2-23(35)33-14-3-4-15(33)10-16(9-14)37-22-11-17-20(12-21(22)36-8-7-34)30-13-31-26(17)32-19-6-5-18(27)24(28)25(19)29;1-3-24(35)34-15-5-6-16(34)10-17(9-15)37-23-11-18-21(12-22(23)36-2)31-13-32-25(18)33-14-4-7-19(20(27)8-14)26(28,29)30;1-2-21(35)34-12-3-4-13(34)8-14(7-12)36-19-9-15-18(10-20(19)37-25(29)30)31-11-32-24(15)33-17-6-5-16(26)22(27)23(17)28;2*1-3-22(34)33-14-4-5-15(33)9-13(8-14)31-20-10-16-19(11-21(20)35-2)29-12-30-25(16)32-18-7-6-17(26)23(27)24(18)28;1-3-22(33)32-13-4-5-14(32)9-15(8-13)35-21-10-16-19(11-20(21)34-2)29-12-30-25(16)31-18-7-6-17(27)23(26)24(18)28;1-3-24(32)31-15-5-6-16(31)10-17(9-15)34-23-11-18-21(12-22(23)33-2)28-13-29-25(18)30-14-4-7-20(27)19(26)8-14;2*1-3-21(32)31-10-12-6-13(31)7-18(12)34-20-8-14-17(9-19(20)33-2)28-11-29-24(14)30-16-5-4-15(25)22(26)23(16)27/h2,6-7,16-21H,1,3-5,8-15H2,(H,35,36,37);2*2,5-6,11-12,14-18H,1,3-4,7-10,13H2,(H,32,33,34);3,6-7,10-11,13-16H,1,4-5,8-9,12H2,2H3,(H,31,36)(H,32,33,34);2,5-6,9-10,13-17H,1,3-4,7-8,11-12H2,(H,31,32,33);2,6-7,12-17,35H,1,3-5,8-11H2,(H,31,32,33);2,5-6,11-16,34H,1,3-4,7-10H2,(H,30,31,32);3-4,7-8,11-13,15-17H,1,5-6,9-10H2,2H3,(H,31,32,33);2,5-6,9-14,25H,1,3-4,7-8H2,(H,31,32,33);2*3,6-7,10-15,31H,1,4-5,8-9H2,2H3,(H,29,30,32);3,6-7,10-15H,1,4-5,8-9H2,2H3,(H,29,30,31);3-4,7-8,11-13,15-17H,1,5-6,9-10H2,2H3,(H,28,29,30);2*3-5,8-9,11-13,18H,1,6-7,10H2,2H3,(H,28,29,30)
InChIKeyUBZWBDLWIZRWRH-UHFFFAOYSA-N
XLogP85.78
TPSA1264.02 Ų
H-Bond Donors20
H-Bond Acceptors98
Rotatable Bonds105
Heavy Atoms554
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5008129.90
LogP ≤ 585.78
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1098

Analyze 1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide?
The IUPAC name of 1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide (CID 161049967) is 1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide.
What is the SMILES notation for 1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide?
The canonical SMILES for 1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide is C=CC(=O)N1C2CCC1CC(Nc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Nc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(C(F)(F)F)c(Cl)c4)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC(F)F)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC1CCOC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC1CCOC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC1COC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCC(=O)NC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCCN1CCOCC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCCO)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCO)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1CC2CC1CC2Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC.C=CC(=O)N1CC2CC1CC2Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC.
What is the InChIKey of 1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide?
The InChIKey is UBZWBDLWIZRWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Cl2FN5O4.2C28H27Cl2FN4O4.C27H26Cl2FN5O4.C27H25Cl2FN4O4.C27H27Cl2FN4O4.C26H25Cl2FN4O4.C26H24ClF3N4O3.C25H21Cl2F3N4O3.2C25H24Cl2FN5O2.C25H23ClF2N4O3.C25H24ClFN4O3.2C24H21Cl2FN4O3/c1-2-28(40)39-19-4-5-20(39)15-21(14-19)43-27-16-22-25(17-26(27)42-11-3-8-38-9-12-41-13-10-38)35-18-36-31(22)37-24-7-6-23(32)29(33)30(24)34;2*1-2-25(36)35-15-3-4-16(35)10-18(9-15)39-23-11-19-22(12-24(23)38-17-7-8-37-13-17)32-14-33-28(19)34-21-6-5-20(29)26(30)27(21)31;1-3-24(37)35-14-4-5-15(35)9-16(8-14)39-22-10-17-20(11-21(22)38-12-23(36)31-2)32-13-33-27(17)34-19-7-6-18(28)25(29)26(19)30;1-2-24(35)34-14-3-4-15(34)8-16(7-14)37-22-9-18-21(10-23(22)38-17-11-36-12-17)31-13-32-27(18)33-20-6-5-19(28)25(29)26(20)30;1-2-24(36)34-15-4-5-16(34)11-17(10-15)38-23-12-18-21(13-22(23)37-9-3-8-35)31-14-32-27(18)33-20-7-6-19(28)25(29)26(20)30;1-2-23(35)33-14-3-4-15(33)10-16(9-14)37-22-11-17-20(12-21(22)36-8-7-34)30-13-31-26(17)32-19-6-5-18(27)24(28)25(19)29;1-3-24(35)34-15-5-6-16(34)10-17(9-15)37-23-11-18-21(12-22(23)36-2)31-13-32-25(18)33-14-4-7-19(20(27)8-14)26(28,29)30;1-2-21(35)34-12-3-4-13(34)8-14(7-12)36-19-9-15-18(10-20(19)37-25(29)30)31-11-32-24(15)33-17-6-5-16(26)22(27)23(17)28;2*1-3-22(34)33-14-4-5-15(33)9-13(8-14)31-20-10-16-19(11-21(20)35-2)29-12-30-25(16)32-18-7-6-17(26)23(27)24(18)28;1-3-22(33)32-13-4-5-14(32)9-15(8-13)35-21-10-16-19(11-20(21)34-2)29-12-30-25(16)31-18-7-6-17(27)23(26)24(18)28;1-3-24(32)31-15-5-6-16(31)10-17(9-15)34-23-11-18-21(12-22(23)33-2)28-13-29-25(18)30-14-4-7-20(27)19(26)8-14;2*1-3-21(32)31-10-12-6-13(31)7-18(12)34-20-8-14-17(9-19(20)33-2)28-11-29-24(14)30-16-5-4-15(25)22(26)23(16)27/h2,6-7,16-21H,1,3-5,8-15H2,(H,35,36,37);2*2,5-6,11-12,14-18H,1,3-4,7-10,13H2,(H,32,33,34);3,6-7,10-11,13-16H,1,4-5,8-9,12H2,2H3,(H,31,36)(H,32,33,34);2,5-6,9-10,13-17H,1,3-4,7-8,11-12H2,(H,31,32,33);2,6-7,12-17,35H,1,3-5,8-11H2,(H,31,32,33);2,5-6,11-16,34H,1,3-4,7-10H2,(H,30,31,32);3-4,7-8,11-13,15-17H,1,5-6,9-10H2,2H3,(H,31,32,33);2,5-6,9-14,25H,1,3-4,7-8H2,(H,31,32,33);2*3,6-7,10-15,31H,1,4-5,8-9H2,2H3,(H,29,30,32);3,6-7,10-15H,1,4-5,8-9H2,2H3,(H,29,30,31);3-4,7-8,11-13,15-17H,1,5-6,9-10H2,2H3,(H,28,29,30);2*3-5,8-9,11-13,18H,1,6-7,10H2,2H3,(H,28,29,30).
What are the key properties of 1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide?
1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide has a molecular weight of 8129.90 g/mol, XLogP of 85.78, 105 rotatable bonds, 20 hydrogen bond donors, and 98 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-[3-chloro-4-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxypropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);bis(1-[5-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxetan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;bis(1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one);2-[4-(3,4-dichloro-2-fluoroanilino)-6-[(8-prop-2-enoyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-7-yl]oxy-N-methylacetamide is sourced from PubChem (CID 161049967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).