4084526 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 8 7 7 7 7 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 2 2 2 3 3 3 4 4 5 5 6 6 6 7 7 7 8 8 9 9 10 10 11 12 12 13 14 14 15 16 16 17 17 18 18 19 20 21 21 22 22 23 24 24 24 13 24 6 7 10 8 9 11 11 20 15 20 8 25 26 9 27 28 29 30 31 32 13 14 12 15 16 17 18 33 21 22 34 19 35 19 36 37 38 23 39 23 40 41 42 43 44 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 2 1 1 1 1 1 2 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 6.3981 4.666 4.666 5.5321 4.666 3.8 5.5321 3.8 5.5321 4.666 4.666 3.8 5.5321 3.8 3.8 2.9061 5.5321 3.8 4.666 5.5321 2.9061 2 2 7.2641 3.1894 3.588 5.7441 6.1426 3.588 3.1894 6.1426 5.7441 3.2631 2.9132 6.069 3.2631 4.666 6.069 2.9132 1.4643 1.4643 6.9541 7.801 7.5741 -2.0173 -1.0173 0.9827 2.4827 3.9827 -0.5173 -0.5173 0.4827 0.4827 -2.0173 1.9827 2.4827 -2.5173 -2.5173 3.4827 1.948 -3.5173 -3.5173 -4.0173 3.4827 4.0173 2.4618 3.5035 -2.5173 -0.4097 -1.0999 -1.0999 -0.4097 1.0653 0.375 0.375 1.0653 -2.2073 1.328 -3.8273 -3.8273 -4.6373 3.7927 4.6373 2.1498 3.8156 -3.0543 -2.8273 -1.9804 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 10 10 11 12 12 13 14 15 16 17 18 21 22 11 20 15 20 13 14 12 15 16 17 18 21 22 19 19 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 399 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BA0000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C0CC19E0637F6F7081400A003266364008288293122A009D8203F6C988E6EA2C4F9DB9534286CC013D8E82790C0000E00000000000210000000000000042000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-(2-methoxyphenyl)-1-piperazinyl]quinazoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-(2-methoxyphenyl)piperazino]quinazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H20N4O/c1-24-18-9-5-4-8-17(18)22-10-12-23(13-11-22)19-15-6-2-3-7-16(15)20-14-21-19/h2-9,14H,10-13H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CLBFLRTUMYCASL-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 320.16371127 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H20N4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 320.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=CC=C1N2CCN(CC2)C3=NC=NC4=CC=CC=C43 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=CC=C1N2CCN(CC2)C3=NC=NC4=CC=CC=C43 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 41.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 320.16371127 24 0 0 0 0 0 0 0 1 -1