56593273 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 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 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 13 13 14 14 15 16 16 17 18 18 19 20 20 21 21 22 22 23 25 26 26 27 27 27 28 28 28 29 29 30 30 30 15 27 23 28 24 30 8 9 12 10 11 13 12 19 17 19 10 31 32 11 33 34 35 36 37 38 14 15 16 17 18 20 21 39 22 23 40 26 25 41 25 42 24 43 24 44 29 45 46 47 48 49 50 51 52 53 54 55 56 1 1 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 2 1 2 2 1 1 2 1 1 1 1 1 2 1 1 1 2 1 2 1 1 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 55 56 4.666 2.868 2.868 6.3981 6.3981 7.2641 6.3981 5.532 7.2641 5.532 7.2641 6.3981 6.3981 5.532 5.532 7.2641 5.532 4.6381 7.2641 5.532 7.2641 4.6381 3.732 3.732 6.3981 8.1301 3.8 2 8.1301 2.8718 5.32 4.9215 7.8747 7.4762 4.9215 5.32 7.4762 7.8747 7.801 4.6453 4.9951 7.801 4.6453 6.3981 8.6671 3.49 3.2631 4.11 2.3079 1.4619 1.6921 8.6671 7.5932 3.4918 2.8742 2.2518 -2.5121 1.4638 3.5121 0.4879 -1.5121 1.9879 3.4879 -0.0121 -0.0121 -1.0121 -1.0121 1.4879 -2.5121 1.9879 -3.0121 -3.0121 2.9879 1.4533 2.9879 -4.0121 -4.0121 3.5226 1.9671 3.0087 -4.5121 3.4879 -3.0121 1.9604 4.4879 4.5121 0.5705 -0.1197 -0.1197 0.5705 -0.9044 -1.5947 -1.5947 -0.9044 -2.7021 0.8333 -4.3221 -4.3221 4.1426 -5.1321 3.1779 -2.4751 -3.3221 -3.549 2.4986 2.2684 1.4223 4.7979 4.7979 4.5097 5.1321 4.5145 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 12 13 13 14 14 15 16 17 18 20 21 22 23 12 19 17 19 14 15 16 17 18 20 21 22 23 25 25 24 24 0 Compound Canonicalized 5 2012.01.18 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 557 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C0CC19F0633F6F7081400A003266264008288292122A00998203FEC988F6EA2C4F9DB95342A6EC01BDAE827B0D0130E2040010200025000408002040004A000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-vinyl-quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethenyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]quinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethenyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethenyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethenyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazino]-2-vinyl-quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H26N4O3/c1-5-22-24-17-15-21(30-4)20(29-3)14-16(17)23(25-22)27-12-10-26(11-13-27)18-8-6-7-9-19(18)28-2/h5-9,14-15H,1,10-13H2,2-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UFOKSVRATXOQOA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.20049070 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H26N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C=C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C=C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 60 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.20049070 30 0 0 0 0 0 0 0 1 -1