68501649 -OEChem-05042419442D 76 80 0 1 0 0 0 0 0999 V2000 9.8622 -5.3209 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -5.3209 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.6791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6988 3.6736 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.7282 1.1791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.3209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.3209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.8209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.3209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 2.6791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8622 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5078 2.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1769 3.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6769 3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9556 4.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1635 5.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -2.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -5.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0742 3.0168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 0.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1978 1.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0094 1.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 -0.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 -0.2132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5918 2.5548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6785 3.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2433 4.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4853 4.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -1.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -1.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 1.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5195 0.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3808 4.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6271 3.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2842 0.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 0.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9042 1.2160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7700 5.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2924 5.9274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5571 5.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.9755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -3.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 0.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 1.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 0.7056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -5.9409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -3.5109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -1.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.5405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -2.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 34 1 0 0 0 0 3 19 2 0 0 0 0 4 31 1 0 0 0 0 4 36 1 0 0 0 0 5 32 1 0 0 0 0 5 39 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 6 22 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 7 23 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 24 1 0 0 0 0 9 24 2 0 0 0 0 9 26 1 0 0 0 0 10 24 1 0 0 0 0 10 27 2 0 0 0 0 11 27 1 0 0 0 0 11 33 1 0 0 0 0 11 67 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 1 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 14 17 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 20 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 21 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 25 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 28 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 65 1 0 0 0 0 30 32 1 0 0 0 0 30 66 1 0 0 0 0 31 32 2 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 37 1 0 0 0 0 35 38 2 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 40 2 0 0 0 0 37 72 1 0 0 0 0 38 40 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 M END > 68501649 > 1 > 838 > 9 > 1 > 8 > AAADcfB7sQAEAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAACx9AAAHwIQAAAADC7Bni4z9vfIFACoAydydACCiCkhJ6AJmCG+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 > (2S)-N-[1-[4-(4-chloro-2-fluoroanilino)-6,7-dimethoxy-2-quinazolinyl]-4-piperidinyl]-1-ethyl-N-methyl-2-pyrrolidinecarboxamide > (2S)-N-[1-[4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]-1-ethyl-N-methylpyrrolidine-2-carboxamide > (2S)-N-[1-[4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]-1-ethyl-N-methylpyrrolidine-2-carboxamide > (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 > (2S)-N-[1-[4-(4-chloro-2-fluoro-anilino)-6,7-dimethoxy-quinazolin-2-yl]-4-piperidyl]-1-ethyl-N-methyl-pyrrolidine-2-carboxamide > InChI=1S/C29H36ClFN6O3/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)/t24-/m0/s1 > DKDUXIXDFHBNCH-DEOSSOPVSA-N > 5.6 > 570.2521449 > C29H36ClFN6O3 > 571.1 > CCN1CCCC1C(=O)N(C)C2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)NC5=C(C=C(C=C5)Cl)F)OC)OC > 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 > 83.1 > 570.2521449 > 0 > 40 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 24 8 10 27 8 12 19 5 26 28 8 26 29 8 27 28 8 28 30 8 29 31 8 30 32 8 31 32 8 33 34 8 33 35 8 34 37 8 35 38 8 37 40 8 38 40 8 9 24 8 9 26 8 $$$$