68501648 -OEChem-05112417592D 80 82 0 1 0 0 0 0 0999 V2000 11.4098 0.6200 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.9389 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.6178 13.8777 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 0.6200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.4098 8.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4155 5.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4155 3.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2463 9.6145 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.2758 7.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6777 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8117 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 2.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1418 8.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4098 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0554 8.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4098 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5437 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7245 8.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2245 9.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2758 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5437 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6777 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5032 10.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1418 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8117 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7111 11.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0796 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0796 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1857 5.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1857 3.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2796 5.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2796 4.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8117 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8117 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6777 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4194 6.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6777 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5437 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5476 4.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5437 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6218 8.9577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9467 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7454 7.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5569 7.8488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6218 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0203 5.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9423 7.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1452 7.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1393 8.4957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2261 9.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7909 10.0746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0329 10.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1452 4.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9423 4.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4657 7.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0671 6.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9283 10.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1746 9.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8318 6.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6787 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4518 7.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3176 11.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8400 11.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1047 11.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1929 6.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1929 2.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4087 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6777 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0394 6.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4218 7.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7994 6.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6777 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0807 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8555 4.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0095 4.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2397 3.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 6.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6178 13.8777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 79 1 0 0 0 0 3 80 1 0 0 0 0 4 36 1 0 0 0 0 5 21 2 0 0 0 0 6 33 1 0 0 0 0 6 38 1 0 0 0 0 7 34 1 0 0 0 0 7 41 1 0 0 0 0 8 14 1 0 0 0 0 8 20 1 0 0 0 0 8 24 1 0 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 9 25 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 26 1 0 0 0 0 11 26 2 0 0 0 0 11 28 1 0 0 0 0 12 26 1 0 0 0 0 12 29 2 0 0 0 0 13 29 1 0 0 0 0 13 35 1 0 0 0 0 13 69 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 1 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 22 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 23 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 27 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 30 1 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 67 1 0 0 0 0 32 34 1 0 0 0 0 32 68 1 0 0 0 0 33 34 2 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 36 39 1 0 0 0 0 37 40 2 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 42 2 0 0 0 0 39 74 1 0 0 0 0 40 42 1 0 0 0 0 40 75 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 M END > 68501648 > 1 > 838 > 9 > 3 > 8 > AAADcfB7sQAGAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAACx9AAAHwIQAAAADC7Bni4z9vfIFACoAydydACCiCkhJ6AJmCG+7piNbvLF+/uUNCpu1hvK6Ce40RMOIEBBAgACQABAgIIEAASAAAAAAAAAAA== > (2S)-N-[1-[4-(4-chloro-2-fluoro-anilino)-6,7-dimethoxy-quinazolin-2-yl]-4-piperidyl]-1-ethyl-N-methyl-pyrrolidine-2-carboxamide;dihydrochloride > (2S)-N-[1-[4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-2-quinazolinyl]-4-piperidinyl]-1-ethyl-N-methyl-2-pyrrolidinecarboxamide;dihydrochloride > (2S)-N-[1-[4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]-1-ethyl-N-methylpyrrolidine-2-carboxamide;dihydrochloride > (2S)-N-[1-[4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]-1-ethyl-N-methylpyrrolidine-2-carboxamide;dihydrochloride > (2S)-N-[1-[4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-6,7-dimethoxy-quinazolin-2-yl]piperidin-4-yl]-1-ethyl-N-methyl-pyrrolidine-2-carboxamide;dihydrochloride > (2S)-N-[1-[4-(4-chloro-2-fluoro-anilino)-6,7-dimethoxy-quinazolin-2-yl]-4-piperidyl]-1-ethyl-N-methyl-pyrrolidine-2-carboxamide;dihydrochloride > InChI=1S/C29H36ClFN6O3.2ClH/c1-5-36-12-6-7-24(36)28(38)35(2)19-10-13-37(14-11-19)29-33-23-17-26(40-4)25(39-3)16-20(23)27(34-29)32-22-9-8-18(30)15-21(22)31;;/h8-9,15-17,19,24H,5-7,10-14H2,1-4H3,(H,32,33,34);2*1H/t24-;;/m0../s1 > OPFSXNVICMLXTC-ASMAMLKCSA-N > 642.205500 > C29H38Cl3FN6O3 > 644.0 > CCN1CCCC1C(=O)N(C)C2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)NC5=C(C=C(C=C5)Cl)F)OC)OC.Cl.Cl > CCN1CCC[C@H]1C(=O)N(C)C2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)NC5=C(C=C(C=C5)Cl)F)OC)OC.Cl.Cl > 83.1 > 642.205500 > 0 > 42 > 1 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 11 26 8 11 28 8 12 26 8 12 29 8 14 21 5 28 30 8 28 31 8 29 30 8 30 32 8 31 33 8 32 34 8 33 34 8 35 36 8 35 37 8 36 39 8 37 40 8 39 42 8 40 42 8 $$$$