About 1-[(1S,5R)-3-[[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[[4-(3-chloro-2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxy-3-methylbutoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-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);1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]-4-(dimethylamino)butan-1-one;1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-fluoro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-(imidazo[1,2-a]pyridin-6-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one
1-[(1S,5R)-3-[[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[[4-(3-chloro-2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxy-3-methylbutoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-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);1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]-4-(dimethylamino)butan-1-one;1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-fluoro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-(imidazo[1,2-a]pyridin-6-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one (PubChem CID 159243243) has the molecular formula C317H315Cl17F17N55O36
and a molecular weight of 6397.02 g/mol. Its IUPAC name is 1-[(1S,5R)-3-[[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[[4-(3-chloro-2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxy-3-methylbutoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-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);1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]-4-(dimethylamino)butan-1-one;1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-fluoro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-(imidazo[1,2-a]pyridin-6-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one.
Frequently Asked Questions
What is the IUPAC name of 1-[(1S,5R)-3-[[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[[4-(3-chloro-2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxy-3-methylbutoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-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);1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]-4-(dimethylamino)butan-1-one;1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-fluoro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-(imidazo[1,2-a]pyridin-6-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one?
The IUPAC name of 1-[(1S,5R)-3-[[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[[4-(3-chloro-2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxy-3-methylbutoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-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);1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]-4-(dimethylamino)butan-1-one;1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-fluoro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-(imidazo[1,2-a]pyridin-6-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one (CID 159243243) is 1-[(1S,5R)-3-[[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[[4-(3-chloro-2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxy-3-methylbutoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-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);1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]-4-(dimethylamino)butan-1-one;1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-fluoro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-(imidazo[1,2-a]pyridin-6-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(1S,5R)-3-[[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[[4-(3-chloro-2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxy-3-methylbutoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-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);1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]-4-(dimethylamino)butan-1-one;1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-fluoro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-(imidazo[1,2-a]pyridin-6-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(1S,5R)-3-[[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[[4-(3-chloro-2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxy-3-methylbutoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-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);1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]-4-(dimethylamino)butan-1-one;1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-fluoro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-(imidazo[1,2-a]pyridin-6-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one is C=CC(=O)N1[C@@H]2CC[C@H]1CC(Nc1cc3c(Nc4ccc(C)c(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1[C@@H]2CC[C@H]1CC(Nc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1[C@@H]2CC[C@H]1CC(Nc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1[C@@H]2CC[C@H]1CC(Nc1cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc1OC)C2.C=CC(=O)N1[C@@H]2CC[C@H]1CC(Oc1cc3c(Nc4ccc(Cl)c(C(F)(F)F)c4)ncnc3cc1OC)C2.C=CC(=O)N1[C@@H]2CC[C@H]1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCC(C)(C)O)C2.C=CC(=O)N1[C@@H]2CC[C@H]1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCCO)C2.C=CC(=O)N1[C@@H]2CC[C@H]1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1OCCO)C2.C=CC(=O)N1[C@@H]2CC[C@H]1CC(Oc1cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc1O[C@@H]1CCOC1)C2.C=CC(=O)N1[C@@H]2CC[C@H]1CC(Oc1cc3c(Nc4ccc(F)c(C(F)(F)F)c4)ncnc3cc1OC)C2.C=CC(=O)N1[C@@H]2CC[C@H]1CC(Oc1cc3c(Nc4ccc5nccn5c4)ncnc3cc1OC)C2.COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1C[C@H]2CC[C@@H](C1)N2C(=O)CCCN(C)C.
What is the InChIKey of 1-[(1S,5R)-3-[[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[[4-(3-chloro-2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxy-3-methylbutoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-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);1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]-4-(dimethylamino)butan-1-one;1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-fluoro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-(imidazo[1,2-a]pyridin-6-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one?
The InChIKey is KUIXUPLENDFKPD-KIPVJAQKSA-N. The full InChI is InChI=1S/C29H31Cl2FN4O4.C28H32Cl2FN5O3.C28H27Cl2FN4O4.C27H27Cl2FN4O4.C26H25Cl2FN4O4.C26H24ClF3N4O3.C26H27ClFN5O2.C26H24F4N4O3.C26H26N6O3.2C25H24Cl2FN5O2.C25H24ClF2N5O2/c1-4-25(37)36-16-5-6-17(36)12-18(11-16)40-24-13-19-22(14-23(24)39-10-9-29(2,3)38)33-15-34-28(19)35-21-8-7-20(30)26(31)27(21)32;1-35(2)10-4-5-25(37)36-16-6-7-17(36)12-18(11-16)39-24-13-19-22(14-23(24)38-3)32-15-33-28(19)34-21-9-8-20(29)26(30)27(21)31;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;1-2-24(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)33-14-4-7-20(27)19(8-14)26(28,29)30;1-4-23(34)33-16-6-7-17(33)10-15(9-16)31-21-11-18-20(12-22(21)35-3)29-13-30-26(18)32-19-8-5-14(2)24(27)25(19)28;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)33-14-4-7-20(27)19(8-14)26(28,29)30;1-3-25(33)32-17-5-6-18(32)11-19(10-17)35-23-12-20-21(13-22(23)34-2)28-15-29-26(20)30-16-4-7-24-27-8-9-31(24)14-16;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(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(27)23(26)24(18)28/h4,7-8,13-18,38H,1,5-6,9-12H2,2-3H3,(H,33,34,35);8-9,13-18H,4-7,10-12H2,1-3H3,(H,32,33,34);2,5-6,11-12,14-18H,1,3-4,7-10,13H2,(H,32,33,34);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);4-5,8,11-13,15-17,31H,1,6-7,9-10H2,2-3H3,(H,29,30,32);3-4,7-8,11-13,15-17H,1,5-6,9-10H2,2H3,(H,31,32,33);3-4,7-9,12-15,17-19H,1,5-6,10-11H2,2H3,(H,28,29,30);3*3,6-7,10-15,31H,1,4-5,8-9H2,2H3,(H,29,30,32)/t2*16-,17+,18?;15-,16+,17-,18?;15-,16+,17?;14-,15+,16?;15-,16+,17?;15?,16-,17+;15-,16+,17?;17-,18+,19?;3*13?,14-,15+/m..1........./s1.
What are the key properties of 1-[(1S,5R)-3-[[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[[4-(3-chloro-2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxy-3-methylbutoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-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);1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]-4-(dimethylamino)butan-1-one;1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-fluoro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-(imidazo[1,2-a]pyridin-6-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one?
1-[(1S,5R)-3-[[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[[4-(3-chloro-2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxy-3-methylbutoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-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);1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]-4-(dimethylamino)butan-1-one;1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-fluoro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-(imidazo[1,2-a]pyridin-6-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one has a molecular weight of 6397.02 g/mol, XLogP of 68.35, 84 rotatable bonds, 19 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-3-[[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[[4-(3-chloro-2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-(3-hydroxy-3-methylbutoxy)quinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-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-[(1S,5R)-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);1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]-4-(dimethylamino)butan-1-one;1-[(1S,5R)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-[4-fluoro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;1-[(1S,5R)-3-[4-(imidazo[1,2-a]pyridin-6-ylamino)-7-methoxyquinazolin-6-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one is sourced from PubChem (CID 159243243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).