9153752 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 9 9 9 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 15 15 16 17 17 18 19 19 20 21 21 22 22 23 23 24 25 25 26 28 28 28 27 27 27 16 28 9 10 13 11 12 14 13 20 18 20 11 29 30 12 31 32 33 34 35 36 15 16 17 18 19 21 22 37 23 25 38 27 24 39 24 40 26 41 42 26 43 44 45 46 47 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 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 7.2641 5.8981 6.8981 2.934 4.666 4.666 5.5321 4.666 3.8 5.5321 3.8 5.5321 4.666 4.666 3.8 3.8 5.5321 3.8 2.9061 5.5321 3.8 5.5321 2.9061 4.666 2 2 6.3981 2.068 3.588 3.1894 6.1426 5.7441 3.1894 3.588 5.7441 6.1426 6.069 2.9132 3.2631 6.069 2.9132 4.666 1.4643 1.4643 1.758 1.531 2.378 4.067 4.433 2.701 -2.433 0.567 -1.433 2.067 3.567 0.067 0.067 -0.933 -0.933 1.567 -2.433 2.067 -2.933 -2.933 3.067 1.5323 3.067 -3.933 -3.933 3.6016 -4.433 2.0462 3.0878 3.567 -2.933 0.6496 -0.0407 -0.0407 0.6496 -0.8254 -1.5156 -1.5156 -0.8254 -2.623 0.9124 -4.243 -4.243 4.2216 -5.053 1.7341 3.3999 -2.3961 -3.243 -3.47 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 13 14 14 15 15 16 17 18 19 21 22 23 25 13 20 18 20 15 16 17 18 19 21 22 23 25 24 24 26 26 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 512 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BA1800000000000000000000000000000000000003C7881000000000000B1F400001F00000000000C0CC19F1633F6F7081400A003266264008288292122A00998203F6C988E6EA2C4F9DB9534286CC013D8E82790C0000E00000000000210000000000000042000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(trifluoromethyl)quinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[4-(2-methoxyphenyl)piperazino]-2-(trifluoromethyl)quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H19F3N4O/c1-28-17-9-5-4-8-16(17)26-10-12-27(13-11-26)18-14-6-2-3-7-15(14)24-19(25-18)20(21,22)23/h2-9H,10-13H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DGIOWBIDSVPGHF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 388.15109573 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H19F3N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 388.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 388.15109573 28 0 0 0 0 0 0 0 1 -1