About 6-(2-aminoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxyquinazolin-4-amine;N-[2-[2-[2-[2-[2-[2-[2-[3-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethylamino]-3-oxopropoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyacetic acid;N-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
6-(2-aminoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxyquinazolin-4-amine;N-[2-[2-[2-[2-[2-[2-[2-[3-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethylamino]-3-oxopropoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyacetic acid;N-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide (PubChem CID 158210492) has the molecular formula C153H170Cl5F5N26O34S3
and a molecular weight of 3285.65 g/mol. Its IUPAC name is 6-(2-aminoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxyquinazolin-4-amine;N-[2-[2-[2-[2-[2-[2-[2-[3-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethylamino]-3-oxopropoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyacetic acid;N-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide.
Frequently Asked Questions
What is the IUPAC name of 6-(2-aminoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxyquinazolin-4-amine;N-[2-[2-[2-[2-[2-[2-[2-[3-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethylamino]-3-oxopropoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyacetic acid;N-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide?
The IUPAC name of 6-(2-aminoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxyquinazolin-4-amine;N-[2-[2-[2-[2-[2-[2-[2-[3-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethylamino]-3-oxopropoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyacetic acid;N-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide (CID 158210492) is 6-(2-aminoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxyquinazolin-4-amine;N-[2-[2-[2-[2-[2-[2-[2-[3-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethylamino]-3-oxopropoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyacetic acid;N-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide.
What is the SMILES notation for 6-(2-aminoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxyquinazolin-4-amine;N-[2-[2-[2-[2-[2-[2-[2-[3-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethylamino]-3-oxopropoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyacetic acid;N-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide?
The canonical SMILES for 6-(2-aminoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxyquinazolin-4-amine;N-[2-[2-[2-[2-[2-[2-[2-[3-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethylamino]-3-oxopropoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyacetic acid;N-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide is COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC(=O)CCCCC1SCC2NC(=O)NC21.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC(=O)CCOCCOOCCOOCCOOCCOOCCOOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC21.COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCC(=O)O.COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCN.COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCNC(=O)CCCCC1SCC2NC(=O)NC21.
What is the InChIKey of 6-(2-aminoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxyquinazolin-4-amine;N-[2-[2-[2-[2-[2-[2-[2-[3-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethylamino]-3-oxopropoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyacetic acid;N-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide?
The InChIKey is GCACCPDKXQRRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H63ClFN7O17S.C34H36ClFN6O5S.C27H30ClFN6O4S.C24H22ClFN4O3.C24H19ClFN3O5/c1-57-37-28-35-32(43(50-30-49-35)51-31-6-7-34(46)33(45)26-31)27-38(37)60-13-10-48-41(55)8-11-58-14-16-61-63-18-20-65-67-22-24-69-70-25-23-68-66-21-19-64-62-17-15-59-12-9-47-40(54)5-3-2-4-39-42-36(29-71-39)52-44(56)53-42;1-45-28-16-25-23(15-29(28)46-12-11-37-31(43)8-3-2-7-30-32-26(18-48-30)41-34(44)42-32)33(39-19-38-25)40-22-9-10-27(24(35)14-22)47-17-20-5-4-6-21(36)13-20;1-38-21-12-19-16(26(32-14-31-19)33-15-6-7-18(29)17(28)10-15)11-22(21)39-9-8-30-24(36)5-3-2-4-23-25-20(13-40-23)34-27(37)35-25;1-31-22-12-20-18(11-23(22)32-8-7-27)24(29-14-28-20)30-17-5-6-21(19(25)10-17)33-13-15-3-2-4-16(26)9-15;1-32-21-10-19-17(9-22(21)34-12-23(30)31)24(28-13-27-19)29-16-5-6-20(18(25)8-16)33-11-14-3-2-4-15(26)7-14/h6-7,26-28,30,36,39,42H,2-5,8-25,29H2,1H3,(H,47,54)(H,48,55)(H,49,50,51)(H2,52,53,56);4-6,9-10,13-16,19,26,30,32H,2-3,7-8,11-12,17-18H2,1H3,(H,37,43)(H,38,39,40)(H2,41,42,44);6-7,10-12,14,20,23,25H,2-5,8-9,13H2,1H3,(H,30,36)(H,31,32,33)(H2,34,35,37);2-6,9-12,14H,7-8,13,27H2,1H3,(H,28,29,30);2-10,13H,11-12H2,1H3,(H,30,31)(H,27,28,29).
What are the key properties of 6-(2-aminoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxyquinazolin-4-amine;N-[2-[2-[2-[2-[2-[2-[2-[3-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethylamino]-3-oxopropoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyacetic acid;N-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide?
6-(2-aminoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxyquinazolin-4-amine;N-[2-[2-[2-[2-[2-[2-[2-[3-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethylamino]-3-oxopropoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyacetic acid;N-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide has a molecular weight of 3285.65 g/mol, XLogP of 24.35, 86 rotatable bonds, 17 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methoxyquinazolin-4-amine;N-[2-[2-[2-[2-[2-[2-[2-[3-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethylamino]-3-oxopropoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide;2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyacetic acid;N-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]oxyethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide is sourced from PubChem (CID 158210492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).