70269237 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 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 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 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 10 10 12 12 13 16 16 17 17 18 18 19 19 20 20 20 21 22 23 23 24 24 25 25 26 26 27 27 28 28 28 29 29 29 30 17 20 13 28 14 29 15 16 33 9 15 11 15 11 40 41 9 10 11 12 13 31 14 32 14 18 19 21 22 21 34 22 35 23 36 37 38 39 24 25 26 42 27 43 30 44 30 45 46 47 48 49 50 51 52 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 2 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 1 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 11.5942 2.868 2.868 8.1301 6.3981 7.2641 6.3981 5.532 5.532 4.6381 6.3981 4.6381 3.732 3.732 7.2641 8.9962 10.7282 8.9962 9.8622 12.4602 9.8622 10.7282 13.3263 13.3263 14.1923 14.1923 15.0583 2 2.8718 15.0583 4.6453 4.6453 8.1301 8.4592 9.8622 12.8588 12.0617 9.8622 11.2651 6.935 5.8611 12.7893 14.1923 14.1923 15.5953 2.3079 1.4619 1.6921 3.4918 2.8742 2.2518 15.5953 -0.7621 -0.7862 1.2621 1.2379 1.2379 -0.2621 -1.7621 -0.2621 0.7379 -0.7967 -0.7621 1.2726 -0.2829 0.7587 0.7379 0.7379 -0.2621 -0.2621 1.2379 -0.2621 -0.7621 0.7379 -0.7621 -1.7621 -0.2621 -2.2621 -0.7621 -0.2896 2.2621 -1.7621 -1.4167 1.8926 1.8579 -0.5721 1.8579 0.2129 0.2129 -1.3821 1.0479 -2.0721 -2.0721 -2.0721 0.3579 -2.8821 -0.4521 0.2486 0.0184 -0.8277 2.2597 2.8821 2.2645 -2.0721 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 8 8 8 9 10 12 13 16 16 17 17 18 19 23 23 24 25 26 27 9 15 11 15 9 10 11 12 13 14 14 18 19 21 22 21 22 24 25 26 27 30 30 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 511 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0000000000000000000000000000000000000003C60C1000000000000B1F400001E00100000000C0CA19E0233F6F6C81400A003266264008288292122A009982036EC988D2EA2C4F9DB863C2AEED01B4AE827B0D0330E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N2-(4-benzyloxyphenyl)-6,7-dimethoxy-quinazoline-2,4-diamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7-dimethoxy-N2-(4-phenylmethoxyphenyl)quinazoline-2,4-diamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7-dimethoxy-2-<I>N</I>-(4-phenylmethoxyphenyl)quinazoline-2,4-diamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7-dimethoxy-2-N-(4-phenylmethoxyphenyl)quinazoline-2,4-diamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7-dimethoxy-N2-(4-phenylmethoxyphenyl)quinazoline-2,4-diamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-amino-6,7-dimethoxy-quinazolin-2-yl)-(4-benzoxyphenyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H22N4O3/c1-28-20-12-18-19(13-21(20)29-2)26-23(27-22(18)24)25-16-8-10-17(11-9-16)30-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H3,24,25,26,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 INWUXVCDWCBYQU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.16919058 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H22N4O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C2C(=C1)C(=NC(=N2)NC3=CC=C(C=C3)OCC4=CC=CC=C4)N)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=C(C=C2C(=C1)C(=NC(=N2)NC3=CC=C(C=C3)OCC4=CC=CC=C4)N)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.16919058 30 0 0 0 0 0 0 0 1 -1