71883531 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 13 14 14 15 15 16 16 17 17 18 18 19 20 21 21 22 23 23 24 25 25 26 26 27 28 28 28 12 13 9 10 11 15 20 41 20 24 22 24 12 29 30 13 31 32 14 16 33 34 35 36 15 17 37 38 18 39 19 40 19 42 43 21 22 23 25 26 44 28 27 45 27 46 47 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 2 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 6.8981 7.2641 5.8981 8.9962 7.2641 4.666 5.5321 4.666 7.2641 8.1301 6.3981 8.1301 8.9962 5.5321 5.5321 6.3981 4.666 5.5321 4.666 4.666 3.8 3.8 2.9061 5.5321 2.9061 2 2 6.3981 7.0521 6.6535 7.7316 8.5287 8.5287 7.7316 9.2082 9.6067 6.1426 5.7441 6.935 4.1291 4.1291 5.5321 4.1291 2.9132 2.9132 1.4643 1.4643 1.951 3.317 3.683 -0.683 -1.683 -0.183 1.317 2.817 -0.683 -2.183 -2.183 -0.183 -1.683 -1.683 -0.683 -3.183 -2.183 -3.683 -3.183 0.817 1.317 2.317 0.7823 2.317 2.8516 1.2962 2.3378 2.817 -0.1004 -0.7907 -2.658 -2.658 0.2919 0.2919 -2.2656 -1.5754 -0.7907 -0.1004 -3.493 -1.873 -0.493 -4.303 -3.493 0.1624 3.4716 0.9841 2.6499 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 11 11 14 16 17 18 20 21 21 22 23 25 26 20 24 22 24 14 16 17 18 19 19 21 22 23 25 26 27 27 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 500 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA1800000000000000000000000000000000000003C7881000000000000B1F400001F00100000000C08E19F1631F0F7C81400A003266264008280292102A00998A03864988A28A2C0D9D1872408688002D8C8271080000E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-morpholinophenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[2-(4-morpholinyl)phenyl]methyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-morpholinobenzyl)-[2-(trifluoromethyl)quinazolin-4-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H19F3N4O/c21-20(22,23)19-25-16-7-3-2-6-15(16)18(26-19)24-13-14-5-1-4-8-17(14)27-9-11-28-12-10-27/h1-8H,9-13H2,(H,24,25,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KOHFWBQMLYAKIZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 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 2021.05.07 C20H19F3N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 388.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COCCN1C2=CC=CC=C2CNC3=NC(=NC4=CC=CC=C43)C(F)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COCCN1C2=CC=CC=C2CNC3=NC(=NC4=CC=CC=C43)C(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 50.3 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