56688643 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 8 8 7 7 7 7 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 1 2 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 12 12 12 13 13 14 15 15 16 17 17 18 20 20 21 21 22 22 23 23 24 24 25 25 25 26 27 27 27 18 25 19 27 7 8 11 9 10 12 11 16 14 16 9 28 29 10 30 31 32 33 34 35 13 36 37 38 14 15 17 18 39 20 19 40 19 21 22 23 41 24 42 26 43 26 44 45 46 47 48 49 50 51 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 1 2 2 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 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 2.868 2.868 6.3981 6.3981 7.2641 6.3981 7.2641 5.532 7.2641 5.532 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 7.8747 7.4762 5.32 4.9215 7.4762 7.8747 4.9215 5.32 5.7781 6.3981 7.0181 4.6453 4.6453 8.9962 7.5932 10.3991 8.9962 2.3079 1.4619 1.6921 10.3991 3.4918 2.8742 2.2518 0.2258 2.2742 -0.75 -2.75 0.75 2.25 -1.25 -1.25 -2.25 -2.25 0.25 -3.75 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 -1.3577 -0.6674 -0.6674 -1.3577 -2.8326 -2.1423 -2.1423 -2.8326 -3.75 -4.37 -3.75 -0.4046 2.9046 1.13 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 11 13 13 14 15 17 18 20 20 21 22 23 24 11 16 14 16 13 14 15 17 18 19 19 21 22 23 24 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 465 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 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C0CC19F0633F6F7081400A003266264008288292122A00998203EEC988D6EA2C4F9DB94342A6EC01BCAE827B0D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-4-(4-methylpiperazin-1-yl)-2-phenyl-quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-4-(4-methyl-1-piperazinyl)-2-phenylquinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-4-(4-methylpiperazin-1-yl)-2-phenylquinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-4-(4-methylpiperazin-1-yl)-2-phenyl-quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-4-(4-methylpiperazino)-2-phenyl-quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H24N4O2/c1-24-9-11-25(12-10-24)21-16-13-18(26-2)19(27-3)14-17(16)22-20(23-21)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AIWHAZCAYXMXFR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.18992602 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H24N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 50.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 364.18992602 27 0 0 0 0 0 0 0 1 -1