59213598 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 9 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 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 2 2 3 3 4 4 4 5 5 6 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 14 14 15 16 16 17 18 18 19 21 21 22 23 23 24 24 25 25 26 26 26 27 28 28 28 22 19 26 20 28 10 11 13 13 17 15 17 8 9 12 29 10 30 31 11 32 33 34 35 36 37 38 39 40 14 15 16 18 19 41 21 20 42 20 22 23 24 25 43 27 44 27 45 46 47 48 49 50 51 52 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 1 1 1 1 1 2 2 1 1 1 1 1 2 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 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 8.9962 2.868 2.868 6.3981 7.2641 6.3981 6.3981 5.532 7.2641 5.532 7.2641 6.3981 6.3981 5.532 5.532 4.6381 7.2641 4.6381 3.732 3.732 8.1301 8.9962 8.1301 9.8622 8.9962 2 9.8622 2.8718 6.935 4.9215 5.32 7.4762 7.8747 5.32 4.9215 7.8747 7.4762 5.7781 6.3981 7.0181 4.6453 4.6453 7.5932 10.3991 8.9962 2.3079 1.4619 1.6921 10.3991 3.4918 2.8742 2.2518 0.75 0.2258 2.2742 -0.75 0.75 2.25 -2.75 -2.25 -2.25 -1.25 -1.25 -3.75 0.25 0.75 1.75 0.2153 1.75 2.2847 0.7292 1.7708 2.25 1.75 3.25 2.25 3.75 0.7225 3.25 3.2741 -3.06 -2.1423 -2.8326 -2.8326 -2.1423 -0.6674 -1.3577 -1.3577 -0.6674 -3.75 -4.37 -3.75 -0.4046 2.9046 3.56 1.94 4.37 1.2606 1.0304 0.1844 3.56 3.2718 3.8941 3.2765 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 13 14 14 15 16 18 19 21 21 22 23 24 25 13 17 15 17 14 15 16 18 19 20 20 22 23 24 25 27 27 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 502 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B31000000000000000000000000000000000000003C7881000000000000B1F400001F00000000000D0CC19F0E33F6F7081400A003266264008288292122A00998203EEC988D2EA2C4F9DB84342A6EC01BCAE827B0D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-fluorophenyl)-6,7-dimethoxy-4-(4-methyl-1-piperidyl)quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-fluorophenyl)-6,7-dimethoxy-4-(4-methyl-1-piperidinyl)quinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-fluorophenyl)-6,7-dimethoxy-4-(4-methylpiperidin-1-yl)quinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-fluorophenyl)-6,7-dimethoxy-4-(4-methylpiperidin-1-yl)quinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-fluorophenyl)-6,7-dimethoxy-4-(4-methylpiperidin-1-yl)quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-fluorophenyl)-6,7-dimethoxy-4-(4-methylpiperidino)quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H24FN3O2/c1-14-8-10-26(11-9-14)22-16-12-19(27-2)20(28-3)13-18(16)24-21(25-22)15-6-4-5-7-17(15)23/h4-7,12-14H,8-11H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MEJBNJDWVMOBCB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.18525518 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H24FN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1CCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1CCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 47.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.18525518 28 0 0 0 0 0 0 0 1 -1