1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one

C270H266Cl17F11N44O33 — CID 162116532

IUPAC1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one
SMILESC=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCC(F)(F)F)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCN(C)C)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCN1CCCCC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCOC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc5oncc5c4)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4cccc(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1CC2CC(C1)C2Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC1CCOC1.C=CC(=O)N1CC2CC(C1)C2Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OCC1CCCN1C
InChIInChI=1S/C31H34Cl2FN5O3.C29H30Cl2FN5O3.C28H30Cl2FN5O3.C27H25Cl2FN4O4.C27H27Cl2FN4O4.C26H22Cl2F4N4O3.C26H25Cl2FN4O3.C26H25N5O4.C25H24Cl2N4O3.C25H24ClFN4O3/c1-2-28(40)39-19-6-7-20(39)15-21(14-19)42-27-16-22-25(17-26(27)41-13-12-38-10-4-3-5-11-38)35-18-36-31(22)37-24-9-8-23(32)29(33)30(24)34;1-3-25(38)37-12-16-9-17(13-37)28(16)40-24-10-19-22(11-23(24)39-14-18-5-4-8-36(18)2)33-15-34-29(19)35-21-7-6-20(30)26(31)27(21)32;1-4-25(37)36-16-5-6-17(36)12-18(11-16)39-24-13-19-22(14-23(24)38-10-9-35(2)3)32-15-33-28(19)34-21-8-7-20(29)26(30)27(21)31;1-2-23(35)34-10-14-7-15(11-34)26(14)38-21-8-17-20(9-22(21)37-16-5-6-36-12-16)31-13-32-27(17)33-19-4-3-18(28)24(29)25(19)30;1-3-24(35)34-15-4-5-16(34)11-17(10-15)38-23-12-18-21(13-22(23)37-9-8-36-2)31-14-32-27(18)33-20-7-6-19(28)25(29)26(20)30;1-2-22(37)36-13-3-4-14(36)8-15(7-13)39-21-9-16-19(10-20(21)38-11-26(30,31)32)33-12-34-25(16)35-18-6-5-17(27)23(28)24(18)29;1-3-23(34)33-14-5-6-15(33)10-16(9-14)36-22-11-17-20(12-21(22)35-4-2)30-13-31-26(17)32-19-8-7-18(27)24(28)25(19)29;1-3-25(32)31-17-5-6-18(31)10-19(9-17)34-24-11-20-21(12-23(24)33-2)27-14-28-26(20)30-16-4-7-22-15(8-16)13-29-35-22;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)30-14-4-7-19(26)20(27)8-14;1-3-23(32)31-14-7-8-15(31)10-16(9-14)34-22-11-17-20(12-21(22)33-2)28-13-29-25(17)30-19-6-4-5-18(26)24(19)27/h2,8-9,16-21H,1,3-7,10-15H2,(H,35,36,37);3,6-7,10-11,15-18,28H,1,4-5,8-9,12-14H2,2H3,(H,33,34,35);4,7-8,13-18H,1,5-6,9-12H2,2-3H3,(H,32,33,34);2-4,8-9,13-16,26H,1,5-7,10-12H2,(H,31,32,33);3,6-7,12-17H,1,4-5,8-11H2,2H3,(H,31,32,33);2,5-6,9-10,12-15H,1,3-4,7-8,11H2,(H,33,34,35);3,7-8,11-16H,1,4-6,9-10H2,2H3,(H,30,31,32);3-4,7-8,11-14,17-19H,1,5-6,9-10H2,2H3,(H,27,28,30);3-4,7-8,11-13,15-17H,1,5-6,9-10H2,2H3,(H,28,29,30);3-6,11-16H,1,7-10H2,2H3,(H,28,29,30)
InChIKeyZGVKYZOMNQRXOB-UHFFFAOYSA-N
MW5467.05 g/mol
LogP58.45
Rot. Bonds74

About 1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one

1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one (PubChem CID 162116532) has the molecular formula C270H266Cl17F11N44O33 and a molecular weight of 5467.05 g/mol. Its IUPAC name is 1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one
PubChem CID162116532
Molecular FormulaC270H266Cl17F11N44O33
Molecular Weight5467.05 g/mol
Exact Mass5455.50
IUPAC Name1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one
SMILESC=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCC(F)(F)F)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCN(C)C)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCN1CCCCC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCOC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc5oncc5c4)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4cccc(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1CC2CC(C1)C2Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC1CCOC1.C=CC(=O)N1CC2CC(C1)C2Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OCC1CCCN1C
InChIInChI=1S/C31H34Cl2FN5O3.C29H30Cl2FN5O3.C28H30Cl2FN5O3.C27H25Cl2FN4O4.C27H27Cl2FN4O4.C26H22Cl2F4N4O3.C26H25Cl2FN4O3.C26H25N5O4.C25H24Cl2N4O3.C25H24ClFN4O3/c1-2-28(40)39-19-6-7-20(39)15-21(14-19)42-27-16-22-25(17-26(27)41-13-12-38-10-4-3-5-11-38)35-18-36-31(22)37-24-9-8-23(32)29(33)30(24)34;1-3-25(38)37-12-16-9-17(13-37)28(16)40-24-10-19-22(11-23(24)39-14-18-5-4-8-36(18)2)33-15-34-29(19)35-21-7-6-20(30)26(31)27(21)32;1-4-25(37)36-16-5-6-17(36)12-18(11-16)39-24-13-19-22(14-23(24)38-10-9-35(2)3)32-15-33-28(19)34-21-8-7-20(29)26(30)27(21)31;1-2-23(35)34-10-14-7-15(11-34)26(14)38-21-8-17-20(9-22(21)37-16-5-6-36-12-16)31-13-32-27(17)33-19-4-3-18(28)24(29)25(19)30;1-3-24(35)34-15-4-5-16(34)11-17(10-15)38-23-12-18-21(13-22(23)37-9-8-36-2)31-14-32-27(18)33-20-7-6-19(28)25(29)26(20)30;1-2-22(37)36-13-3-4-14(36)8-15(7-13)39-21-9-16-19(10-20(21)38-11-26(30,31)32)33-12-34-25(16)35-18-6-5-17(27)23(28)24(18)29;1-3-23(34)33-14-5-6-15(33)10-16(9-14)36-22-11-17-20(12-21(22)35-4-2)30-13-31-26(17)32-19-8-7-18(27)24(28)25(19)29;1-3-25(32)31-17-5-6-18(31)10-19(9-17)34-24-11-20-21(12-23(24)33-2)27-14-28-26(20)30-16-4-7-22-15(8-16)13-29-35-22;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)30-14-4-7-19(26)20(27)8-14;1-3-23(32)31-14-7-8-15(31)10-16(9-14)34-22-11-17-20(12-21(22)33-2)28-13-29-25(17)30-19-6-4-5-18(26)24(19)27/h2,8-9,16-21H,1,3-7,10-15H2,(H,35,36,37);3,6-7,10-11,15-18,28H,1,4-5,8-9,12-14H2,2H3,(H,33,34,35);4,7-8,13-18H,1,5-6,9-12H2,2-3H3,(H,32,33,34);2-4,8-9,13-16,26H,1,5-7,10-12H2,(H,31,32,33);3,6-7,12-17H,1,4-5,8-11H2,2H3,(H,31,32,33);2,5-6,9-10,12-15H,1,3-4,7-8,11H2,(H,33,34,35);3,7-8,11-16H,1,4-6,9-10H2,2H3,(H,30,31,32);3-4,7-8,11-14,17-19H,1,5-6,9-10H2,2H3,(H,27,28,30);3-4,7-8,11-13,15-17H,1,5-6,9-10H2,2H3,(H,28,29,30);3-6,11-16H,1,7-10H2,2H3,(H,28,29,30)
InChIKeyZGVKYZOMNQRXOB-UHFFFAOYSA-N
XLogP58.45
TPSA820.01 Ų
H-Bond Donors10
H-Bond Acceptors67
Rotatable Bonds74
Heavy Atoms375
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005467.05
LogP ≤ 558.45
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1067

Analyze 1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one (CID 162116532) is 1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one is C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCC(F)(F)F)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCN(C)C)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCN1CCCCC1)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCOC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4ccc5oncc5c4)ncnc3cc1OC)C2.C=CC(=O)N1C2CCC1CC(Oc1cc3c(Nc4cccc(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1CC2CC(C1)C2Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC1CCOC1.C=CC(=O)N1CC2CC(C1)C2Oc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OCC1CCCN1C.
What is the InChIKey of 1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one?
The InChIKey is ZGVKYZOMNQRXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Cl2FN5O3.C29H30Cl2FN5O3.C28H30Cl2FN5O3.C27H25Cl2FN4O4.C27H27Cl2FN4O4.C26H22Cl2F4N4O3.C26H25Cl2FN4O3.C26H25N5O4.C25H24Cl2N4O3.C25H24ClFN4O3/c1-2-28(40)39-19-6-7-20(39)15-21(14-19)42-27-16-22-25(17-26(27)41-13-12-38-10-4-3-5-11-38)35-18-36-31(22)37-24-9-8-23(32)29(33)30(24)34;1-3-25(38)37-12-16-9-17(13-37)28(16)40-24-10-19-22(11-23(24)39-14-18-5-4-8-36(18)2)33-15-34-29(19)35-21-7-6-20(30)26(31)27(21)32;1-4-25(37)36-16-5-6-17(36)12-18(11-16)39-24-13-19-22(14-23(24)38-10-9-35(2)3)32-15-33-28(19)34-21-8-7-20(29)26(30)27(21)31;1-2-23(35)34-10-14-7-15(11-34)26(14)38-21-8-17-20(9-22(21)37-16-5-6-36-12-16)31-13-32-27(17)33-19-4-3-18(28)24(29)25(19)30;1-3-24(35)34-15-4-5-16(34)11-17(10-15)38-23-12-18-21(13-22(23)37-9-8-36-2)31-14-32-27(18)33-20-7-6-19(28)25(29)26(20)30;1-2-22(37)36-13-3-4-14(36)8-15(7-13)39-21-9-16-19(10-20(21)38-11-26(30,31)32)33-12-34-25(16)35-18-6-5-17(27)23(28)24(18)29;1-3-23(34)33-14-5-6-15(33)10-16(9-14)36-22-11-17-20(12-21(22)35-4-2)30-13-31-26(17)32-19-8-7-18(27)24(28)25(19)29;1-3-25(32)31-17-5-6-18(31)10-19(9-17)34-24-11-20-21(12-23(24)33-2)27-14-28-26(20)30-16-4-7-22-15(8-16)13-29-35-22;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)30-14-4-7-19(26)20(27)8-14;1-3-23(32)31-14-7-8-15(31)10-16(9-14)34-22-11-17-20(12-21(22)33-2)28-13-29-25(17)30-19-6-4-5-18(26)24(19)27/h2,8-9,16-21H,1,3-7,10-15H2,(H,35,36,37);3,6-7,10-11,15-18,28H,1,4-5,8-9,12-14H2,2H3,(H,33,34,35);4,7-8,13-18H,1,5-6,9-12H2,2-3H3,(H,32,33,34);2-4,8-9,13-16,26H,1,5-7,10-12H2,(H,31,32,33);3,6-7,12-17H,1,4-5,8-11H2,2H3,(H,31,32,33);2,5-6,9-10,12-15H,1,3-4,7-8,11H2,(H,33,34,35);3,7-8,11-16H,1,4-6,9-10H2,2H3,(H,30,31,32);3-4,7-8,11-14,17-19H,1,5-6,9-10H2,2H3,(H,27,28,30);3-4,7-8,11-13,15-17H,1,5-6,9-10H2,2H3,(H,28,29,30);3-6,11-16H,1,7-10H2,2H3,(H,28,29,30).
What are the key properties of 1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one?
1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one has a molecular weight of 5467.05 g/mol, XLogP of 58.45, 74 rotatable bonds, 10 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-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-[2-(dimethylamino)ethoxy]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-ethoxyquinazolin-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-methoxyethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[6-[4-(3,4-dichloro-2-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]oxy-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-(2-piperidin-1-ylethoxy)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-(2,2,2-trifluoroethoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one is sourced from PubChem (CID 162116532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).