8055580 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 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 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 2 3 3 3 4 4 5 5 6 6 6 6 7 7 7 8 8 10 10 10 11 11 11 12 13 13 14 14 15 15 16 17 17 18 18 19 19 20 21 21 22 22 23 24 24 25 25 26 27 27 27 20 27 10 11 12 13 14 17 9 12 9 16 7 8 9 28 8 29 30 31 32 13 33 34 14 35 36 15 37 38 39 40 16 18 19 20 21 22 41 23 42 24 25 43 23 44 45 26 46 26 47 48 49 50 51 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 2 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 45 46 47 48 49 50 51 6.3981 4.666 4.666 5.5321 4.666 6.3981 7.3981 6.8981 5.5321 5.5321 3.8 4.666 5.5321 3.8 3.8 3.8 4.666 2.9061 2.9061 5.5321 3.8 2 2 5.5321 3.8 4.666 7.2641 5.9597 7.5058 7.9807 7.373 6.4231 6.1426 5.7441 3.588 3.1894 5.7441 6.1426 3.1894 3.588 2.9132 2.9132 3.2631 1.4643 1.4643 6.069 3.2631 4.666 6.9541 7.801 7.5741 -2.433 0.567 -1.433 2.067 3.567 3.567 3.567 4.433 3.067 0.067 0.067 1.567 -0.933 -0.933 2.067 3.067 -2.433 1.5323 3.6016 -2.933 -2.933 2.0462 3.0878 -3.933 -3.933 -4.433 -2.933 4.0054 2.9564 3.779 4.8315 4.8315 -0.0407 0.6496 0.6496 -0.0407 -1.5156 -0.8254 -0.8254 -1.5156 0.9124 4.2216 -2.623 1.7341 3.3999 -4.243 -4.243 -5.053 -3.47 -3.243 -2.3961 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 12 15 15 16 17 17 18 19 20 21 22 24 25 9 12 9 16 15 16 18 19 20 21 22 23 24 25 23 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 491 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BA0000000000000000000000018000000000000003C7881000000000000B1F400001E00000000000D0CC19F0633F6F7081400A003266264008288292122A00998203F6C988E6EA2C4F9DB9534286CC013D8E82790C0000E00000000000210000000000000042000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyclopropyl-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 2-cyclopropyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]quinazoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyclopropyl-4-[4-(2-methoxyphenyl)piperazino]quinazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H24N4O/c1-27-20-9-5-4-8-19(20)25-12-14-26(15-13-25)22-17-6-2-3-7-18(17)23-21(24-22)16-10-11-16/h2-9,16H,10-15H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AUUOZQFWVNCFOW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 360.19501140 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H24N4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 360.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5CC5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5CC5 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 2021.10.14 360.19501140 27 0 0 0 0 0 0 0 1 -1