70576117 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 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 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 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 11 12 12 12 13 13 13 14 14 14 15 15 18 18 20 21 21 22 22 23 23 24 24 24 25 26 26 26 27 27 27 19 24 20 27 7 8 17 9 10 18 16 17 17 19 9 28 29 10 30 31 32 33 34 35 12 13 36 37 14 38 39 15 40 41 16 42 43 16 19 20 21 22 23 44 25 45 25 46 26 47 48 49 50 51 52 53 54 55 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 2 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 4.666 9.8622 6.3981 8.1301 4.666 5.5321 7.2641 6.3981 8.1301 7.2641 2 2 2.9061 2.9061 3.8 3.8 5.5321 8.9962 4.666 9.8622 8.9962 10.7282 9.8622 5.5321 10.7282 5.5321 10.7282 6.8656 7.6626 6.186 5.7875 8.3422 8.7407 7.6626 6.8656 1.3891 1.7909 1.7909 1.3891 2.5124 3.3107 3.3107 2.5124 8.4592 11.2651 9.8622 6.1426 5.7441 11.2651 4.9121 5.5321 6.1521 10.4182 11.2651 11.0382 -2.25 0.75 0.75 1.75 0.75 -0.75 0.25 1.75 0.75 2.25 -0.7708 0.2708 -1.2847 0.7847 -0.75 0.25 0.25 2.25 -1.25 1.75 3.25 2.25 3.75 -2.75 3.25 -3.75 0.25 -0.2249 -0.2249 2.3326 1.6423 0.1674 0.8577 2.725 2.725 -0.6647 -1.3545 0.8545 0.1647 -1.7637 -1.7544 1.2544 1.2637 3.56 1.94 4.37 -2.8577 -2.1674 3.56 -3.75 -4.37 -3.75 -0.2869 -0.06 0.7869 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 15 15 18 18 20 21 22 23 16 17 17 19 16 19 20 21 22 23 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 458 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1C000001E00000000000C0CE19E0633D697081400A003246264008288292122A00998203F6C988E6E22C4F9DB9F3C28EEC01BD8E82790C0200E00000000000010000000000000042000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethoxy-2-[4-(2-methoxyphenyl)-1-piperazinyl]-5,6,7,8-tetrahydroquinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethoxy-2-[4-(2-methoxyphenyl)piperazino]-5,6,7,8-tetrahydroquinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H28N4O2/c1-3-27-20-16-8-4-5-9-17(16)22-21(23-20)25-14-12-24(13-15-25)18-10-6-7-11-19(18)26-2/h6-7,10-11H,3-5,8-9,12-15H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZCLJVZMJXHWFLI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.22122615 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H28N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=NC(=NC2=C1CCCC2)N3CCN(CC3)C4=CC=CC=C4OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=NC(=NC2=C1CCCC2)N3CCN(CC3)C4=CC=CC=C4OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 50.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.22122615 27 0 0 0 0 0 0 0 1 -1