45969567 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 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 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 7 7 7 8 8 9 9 10 11 11 12 12 13 14 14 15 16 16 17 18 18 19 19 20 20 21 22 22 23 23 24 25 25 26 26 27 27 27 28 28 29 29 30 13 27 6 7 10 8 9 11 10 17 15 17 8 31 32 9 33 34 35 36 37 38 12 13 14 15 16 18 19 39 20 22 40 23 21 41 21 42 24 43 44 24 45 25 26 46 28 47 29 48 49 50 51 30 52 30 53 54 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 1 2 1 2 1 1 1 1 2 1 1 1 1 2 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 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 5.5321 3.8 2.9061 4.666 2 6.3981 2 6.3981 7.2641 7.2641 7.2641 8.1301 8.1301 3.588 3.1894 6.1426 5.7441 3.1894 3.588 5.7441 6.1426 3.2631 2.9132 6.069 3.2631 2.9132 4.666 1.4643 1.4643 5.8612 7.2641 6.9541 7.801 7.5741 7.2641 8.6671 8.6671 -2.75 0.25 -1.75 1.75 3.25 -0.25 -0.25 -1.25 -1.25 1.25 -2.75 1.75 -3.25 -3.25 2.75 1.2153 2.75 -4.25 -4.25 3.2847 -4.75 1.7292 3.25 2.7708 4.25 2.75 -3.25 4.75 3.25 4.25 0.3326 -0.3577 -0.3577 0.3326 -1.1423 -1.8326 -1.8326 -1.1423 -2.94 0.5954 -4.56 -4.56 3.9046 -5.37 1.4171 3.0829 4.56 2.13 -3.7869 -3.56 -2.7131 5.37 2.94 4.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 10 11 11 12 12 13 14 15 16 18 19 20 22 23 23 25 26 28 29 10 17 15 17 12 13 14 15 16 18 19 20 22 21 21 24 24 25 26 28 29 30 30 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 531 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 00000371E07BA0000000000000000000000000000000000000003C78C1020000000000B1F400001E00000000000C0CC19F0633F6F7081400A003266264008288292122A00998203F6C988E6EA2C4F9DB9534286CC013D8E82790C0000E00000000000210000000000000042000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-quinazoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-phenylquinazoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-quinazoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[4-(2-methoxyphenyl)piperazino]-2-phenyl-quinazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C25H24N4O/c1-30-23-14-8-7-13-22(23)28-15-17-29(18-16-28)25-20-11-5-6-12-21(20)26-24(27-25)19-9-3-2-4-10-19/h2-14H,15-18H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FDZIDJOOTHCPRM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 396.19501140 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C25H24N4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 396.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5 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 2021.10.14 396.19501140 30 0 0 0 0 0 0 0 1 -1