4318270 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 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 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 2 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 13 13 14 14 14 15 16 16 17 18 18 19 21 21 22 22 23 23 24 24 25 25 26 26 26 27 28 28 28 19 26 20 28 7 8 11 9 10 12 12 17 15 17 9 29 30 10 31 32 33 34 35 36 14 37 38 13 15 16 39 40 41 18 19 42 21 20 43 20 22 23 24 44 25 45 27 46 27 47 48 49 50 51 52 53 54 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 1 1 1 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 52 53 54 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 7.2641 5.532 4.6381 7.2641 4.6381 3.732 3.732 8.1301 8.1301 8.9962 8.9962 9.8622 2 9.8622 2.8718 7.4762 7.8747 4.9215 5.32 7.8747 7.4762 5.32 4.9215 5.7875 6.186 6.9541 7.801 7.5741 4.6453 4.6453 7.5932 8.9962 8.9962 10.3991 2.3079 1.4619 1.6921 10.3991 3.4918 2.8742 2.2518 0.4758 2.5242 -2.5 -0.5 1 2.5 -2 -2 -1 -1 -3.5 0.5 1 -4 2 0.4653 2 2.5347 0.9792 2.0208 2.5 3.5 2 4 2.5 0.9725 3.5 3.5241 -2.5826 -1.8923 -1.8923 -2.5826 -1.1077 -0.4174 -0.4174 -1.1077 -3.3923 -4.0826 -4.5369 -4.31 -3.4631 -0.1546 3.1546 3.81 1.38 4.62 2.19 1.5106 1.2804 0.4344 3.81 3.5218 4.1441 3.5265 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 12 13 13 15 16 18 19 21 21 22 23 24 25 12 17 15 17 13 15 16 18 19 20 20 22 23 24 25 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 479 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C0CC19F0633F6F7081400A003266264008288292122A00998203EEC988D6EA2C4F9DB94342A6EC01BCAE827B0D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-2-phenyl-quinazoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethyl-1-piperazinyl)-6,7-dimethoxy-2-phenylquinazoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-2-phenylquinazoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-2-phenylquinazoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-2-phenyl-quinazoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethylpiperazino)-6,7-dimethoxy-2-phenyl-quinazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H26N4O2/c1-4-25-10-12-26(13-11-25)22-17-14-19(27-2)20(28-3)15-18(17)23-21(24-22)16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DJQYKFKMWKTQMN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 378.20557608 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H26N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 378.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1CCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1CCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 50.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 378.20557608 28 0 0 0 0 0 0 0 1 -1