70489922 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 14 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 14 14 15 15 15 16 16 16 17 17 17 18 18 19 19 20 21 21 22 23 23 24 26 26 26 27 27 27 2 15 16 17 8 24 26 25 27 10 12 13 13 22 20 22 9 11 28 10 29 30 14 31 12 32 33 34 35 18 19 36 37 38 39 40 41 42 43 44 45 20 21 46 47 23 24 48 49 25 50 25 51 52 53 54 55 56 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 8 2 9 11 28 3 1 10 5 9 14 31 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 7.172 6.3118 2.866 2.866 6.3465 7.2641 6.358 6.3233 5.4632 5.4747 7.1951 7.2067 6.358 4.6146 8.0322 6.662 7.682 5.4641 3.7428 5.4641 4.5981 7.2641 4.5981 3.732 3.732 2 2.866 6.8567 4.8539 5.2444 5.4819 7.4004 7.8069 7.816 7.4254 4.6217 7.716 8.5655 8.3484 6.1287 6.3458 7.1953 8.2153 7.9981 7.1486 3.2095 3.7356 4.5981 7.7998 4.5981 2.31 1.4631 1.69 3.486 2.866 2.246 -3.3421 -2.8321 1.2023 3.2023 0.1677 1.6815 3.2369 -1.8322 -1.3222 -0.3223 -1.3422 -0.3423 1.1676 0.1877 -3.8521 -4.2023 -2.4819 1.7023 -0.3022 2.7023 1.2023 2.7231 3.2023 1.7023 2.7023 1.7023 4.2023 -2.1484 -1.2075 -1.9023 0.2977 -1.9272 -1.2416 -0.457 0.2378 0.8077 -4.3854 -4.1683 -3.3188 -3.8861 -4.7356 -4.5185 -2.7981 -1.9486 -2.1657 0.0139 -0.9222 0.5823 3.0352 3.8223 2.2392 2.0123 1.1653 4.2023 4.8223 4.2023 8 8 8 8 3 3 8 8 8 8 8 8 8 6 6 7 7 8 10 13 18 18 20 21 23 24 13 22 20 22 2 14 18 20 21 23 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 501 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30080000000000000000000000000000000000003C5880000000000000B1F000001E10000040000C3CE19E0677F6F7081401A003266364008288293122A009D8203EEC988D2EA2C4F9DB84342A6EC01BCAE827B0D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(6,7-dimethoxyquinazolin-4-yl)-2-vinyl-4-piperidyl]oxy-trimethyl-silane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(6,7-dimethoxy-4-quinazolinyl)-2-ethenyl-4-piperidinyl]oxy-trimethylsilane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(6,7-dimethoxyquinazolin-4-yl)-2-ethenylpiperidin-4-yl]oxy-trimethylsilane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(6,7-dimethoxyquinazolin-4-yl)-2-ethenylpiperidin-4-yl]oxy-trimethylsilane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(6,7-dimethoxyquinazolin-4-yl)-2-ethenyl-piperidin-4-yl]oxy-trimethyl-silane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(6,7-dimethoxyquinazolin-4-yl)-2-vinyl-4-piperidyl]oxy-trimethyl-silane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H29N3O3Si/c1-7-14-10-15(26-27(4,5)6)8-9-23(14)20-16-11-18(24-2)19(25-3)12-17(16)21-13-22-20/h7,11-15H,1,8-10H2,2-6H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VZDRTFJIFSGSPR-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.19781833 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H29N3O3Si Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3C=C)O[Si](C)(C)C)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3C=C)O[Si](C)(C)C)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 56.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.19781833 27 2 0 2 0 0 0 0 1 -1