70280607 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 8 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 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 4 4 5 5 6 6 7 7 7 8 8 9 9 9 10 11 12 12 13 13 14 14 15 17 18 18 19 19 20 21 22 23 23 24 24 26 26 27 27 27 28 28 28 29 29 29 30 31 31 31 32 32 32 15 28 16 29 20 31 21 32 10 17 11 17 25 26 27 25 30 10 11 13 12 14 18 19 15 33 16 34 16 23 20 35 22 36 21 22 37 24 38 25 39 30 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 2 2 1 1 1 1 1 2 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23 17 38 24 25 39 3 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 2.868 2.868 4.666 6.3981 7.2641 6.3981 9.1007 9.9097 5.532 6.3981 5.532 6.3981 4.6381 4.6381 3.732 3.732 7.2641 5.532 7.2641 5.532 6.3981 7.2641 8.1301 8.1301 8.9962 10.0788 8.3575 2 2.8718 10.5788 4.666 7.2641 4.6453 4.6453 4.9951 7.801 7.801 8.6671 7.5932 10.331 8.7724 7.8968 7.9427 2.3079 1.4619 1.6921 3.4918 2.8742 2.2518 11.1954 4.046 4.666 5.286 6.9541 7.801 7.5741 -0.356 1.6923 -3.3318 -4.3318 0.1682 1.6682 4.1627 2.7614 0.1682 -0.3318 1.1682 -1.3318 -0.3665 1.7028 0.1474 1.189 1.1682 -1.8318 -1.8318 -2.8318 -3.3318 -2.8318 1.6682 2.6682 3.1682 4.3706 4.8318 0.1407 2.6923 3.5046 -4.3318 -4.8318 -0.9864 2.3228 -1.5218 -1.5218 -3.1418 1.3582 2.9782 4.937 5.2926 5.2467 4.3711 0.6788 0.4486 -0.3974 2.6899 3.3123 2.6947 3.4398 -4.3318 -4.9518 -4.3318 -5.3688 -5.1418 -4.2949 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 8 5 5 6 6 7 7 8 8 9 9 9 11 12 12 13 14 15 18 19 20 21 23 26 10 17 11 17 25 26 25 30 10 11 13 14 18 19 15 16 16 20 22 21 22 24 30 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 623 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB8000000000000000000000000000001600000003C6080000000000000B1FC00001E00000000000C0CC19F063FD6F70C1400A0033667640082882D3132A009D8203EFC988D6EA2C4F9DB94342A6EC01BCAE827B0D0F30E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methylimidazol-2-yl)vinyl]quinazoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methyl-2-imidazolyl)ethenyl]quinazoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methylimidazol-2-yl)ethenyl]quinazoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methylimidazol-2-yl)ethenyl]quinazoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methylimidazol-2-yl)ethenyl]quinazoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(1-methylimidazol-2-yl)vinyl]quinazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H24N4O4/c1-28-11-10-25-23(28)9-8-22-26-17-14-21(32-5)20(31-4)13-16(17)24(27-22)15-6-7-18(29-2)19(12-15)30-3/h6-14H,1-5H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NAAPSVINOJBHLX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 432.17975526 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H24N4O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 432.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=CN=C1C=CC2=NC3=CC(=C(C=C3C(=N2)C4=CC(=C(C=C4)OC)OC)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=CN=C1C=CC2=NC3=CC(=C(C=C3C(=N2)C4=CC(=C(C=C4)OC)OC)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 80.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 432.17975526 32 0 0 0 1 0 1 0 1 -1