21002926 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 57 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 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 2 3 3 3 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 13 14 14 15 15 16 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 24 25 26 27 28 28 29 30 31 31 31 29 31 6 7 8 9 10 13 13 27 19 27 9 32 33 10 34 35 11 12 36 37 38 39 40 15 17 16 18 14 19 20 21 41 22 42 23 43 24 44 28 29 45 25 46 26 47 25 48 26 49 50 51 52 30 53 30 54 55 56 57 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 2 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 2 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 55 56 57 2.868 6.3981 6.3981 7.2641 6.3981 7.2641 5.532 6.3981 7.2641 5.532 7.2641 5.532 6.3981 5.532 7.2641 4.666 8.1301 5.532 5.532 4.6381 8.1301 3.8 8.9962 4.666 8.9962 3.8 7.2641 4.6381 3.732 3.732 2 7.4762 7.8747 4.9215 5.32 6.3981 7.8747 7.4762 5.32 4.9215 6.7272 4.666 8.1301 6.069 4.6453 8.1301 3.2631 9.5331 4.666 9.5331 3.2631 7.801 4.6453 3.1963 2.3079 1.4619 1.6921 1.9585 -1.0173 0.9827 2.4827 3.9827 -0.5173 -0.5173 -2.0173 0.4827 0.4827 -2.5173 -2.5173 1.9827 2.4827 -3.5173 -2.0173 -2.0173 -3.5173 3.4827 1.948 -4.0173 -2.5173 -2.5173 -4.0173 -3.5173 -3.5173 3.4827 4.0173 2.4618 3.5035 2.4552 -1.0999 -0.4097 -0.4097 -1.0999 -2.6373 0.375 1.0653 1.0653 0.375 -3.8273 -1.3973 -1.3973 -3.8273 1.328 -4.6373 -2.2073 -2.2073 -4.6373 -3.8273 -3.8273 3.7927 4.6373 3.8156 2.9933 2.7631 1.917 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 11 11 12 12 13 14 14 15 16 17 18 19 20 21 22 23 24 28 29 13 27 19 27 15 17 16 18 14 19 20 21 22 23 24 28 29 25 26 25 26 30 30 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 522 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA0000000000000000000000000000000000000003C78C1020000000000B1F400001E00000000000C2CC19E0637F6F7081400A003266364008288293122A009D8203E6C988C6EA2C4F9DB9434286CC013C8E827B0C0D00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-benzhydrylpiperazin-1-yl)-6-methoxy-quinazoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[4-(diphenylmethyl)-1-piperazinyl]-6-methoxyquinazoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-benzhydrylpiperazin-1-yl)-6-methoxyquinazoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-benzhydrylpiperazin-1-yl)-6-methoxyquinazoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[4-(diphenylmethyl)piperazin-1-yl]-6-methoxy-quinazoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-benzhydrylpiperazino)-6-methoxy-quinazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C26H26N4O/c1-31-22-12-13-24-23(18-22)26(28-19-27-24)30-16-14-29(15-17-30)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18-19,25H,14-17H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XSRZRSBFUCBUNT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 410.21066147 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C26H26N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 410.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 410.21066147 31 0 0 0 0 0 0 0 1 -1