57938808 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 8 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 2 2 2 3 3 4 4 5 6 6 7 8 8 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 18 18 19 19 21 21 22 22 23 23 24 24 25 26 26 26 20 26 5 8 11 5 9 7 9 6 7 10 12 14 15 13 16 27 28 29 30 17 31 21 22 18 32 19 33 17 34 35 20 36 20 37 23 38 24 39 25 40 25 41 42 43 44 45 1 1 1 1 1 2 1 1 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 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 8.1301 4.666 5.5321 4.666 4.666 3.8 3.8 5.5321 5.5321 2.9061 3.8 2.9061 6.3981 5.5321 6.3981 2 2 6.3981 7.2641 7.2641 6.3981 7.2641 7.2641 8.1301 8.1301 8.1301 2.9132 3.49 3.2631 4.11 2.9132 4.9951 6.3981 1.4643 1.4643 6.3981 7.801 5.8612 7.2641 7.2641 8.6671 8.6671 7.5101 8.1301 8.7501 -2.75 -0.75 0.75 2.25 0.25 0.75 1.75 -1.25 1.75 0.2153 -1.25 2.2847 2.25 -2.25 -0.75 0.7292 1.7708 -2.75 -1.25 -2.25 3.25 1.75 3.75 2.25 3.25 -3.75 -0.4046 -0.7131 -1.56 -1.7869 2.9046 -2.56 -0.13 0.4171 2.0829 -3.37 -0.94 3.56 1.13 4.37 1.94 3.56 -3.75 -4.37 -3.75 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 6 6 7 8 8 10 12 13 13 14 15 16 18 19 21 22 23 24 5 9 7 9 6 7 10 12 14 15 16 17 21 22 18 19 17 20 20 23 24 25 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 431 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 00000371E07B20000000000000000000000000000000000000003C60C1000000000000B1F400001E00000000000C0C819F0633F6F7081400A003266264008288292122A00998203E6C988C2EE2C4F9DB8434286CC013C8E827B0C0000E00400000000200000080000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-methoxyphenyl)-N-methyl-2-phenyl-quinazolin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-methoxyphenyl)-N-methyl-2-phenyl-4-quinazolinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(4-methoxyphenyl)-<I>N</I>-methyl-2-phenylquinazolin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-methoxyphenyl)-N-methyl-2-phenylquinazolin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-methoxyphenyl)-N-methyl-2-phenyl-quinazolin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methoxyphenyl)-methyl-(2-phenylquinazolin-4-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H19N3O/c1-25(17-12-14-18(26-2)15-13-17)22-19-10-6-7-11-20(19)23-21(24-22)16-8-4-3-5-9-16/h3-15H,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MWWANQZDRNAWLY-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.152812238 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H19N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C1=CC=C(C=C1)OC)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C1=CC=C(C=C1)OC)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.152812238 26 0 0 0 0 0 0 0 1 -1