69221750 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 5 5 7 7 7 8 9 9 10 11 11 12 12 13 13 14 14 15 15 16 16 17 18 19 19 20 21 21 22 22 23 23 24 24 25 26 26 26 18 26 6 7 29 6 10 8 10 6 8 11 9 27 28 13 14 15 12 16 30 21 22 17 31 18 32 19 33 17 34 35 20 20 36 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 1 1 1 2 2 1 1 1 1 2 1 1 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 3.8 4.666 5.5321 4.666 3.8 4.666 5.5321 3.8 5.5321 5.5321 2.9061 6.3981 2.9061 4.666 6.3981 2 2 4.666 6.3981 5.5321 6.3981 7.2641 7.2641 8.1301 8.1301 3.8 6.1426 5.7441 4.1291 2.9132 2.9132 4.1291 6.935 1.4643 1.4643 6.935 5.5321 5.8612 7.2641 7.2641 8.6671 8.6671 3.18 3.8 4.42 -3.5 -0 1.5 3 1.5 1 -0.5 2.5 -1.5 2.5 0.9653 3 3.0347 -2 -2 1.4792 2.5208 -3 -3 -3.5 4 2.5 4.5 3 4 -4.5 -0.6077 0.0826 -0.31 0.3454 3.6546 -1.69 -1.69 1.1671 2.8329 -3.31 -4.12 4.31 1.88 5.12 2.69 4.31 -4.5 -5.12 -4.5 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 5 5 8 9 9 11 12 12 13 14 15 16 18 19 21 22 23 24 6 10 8 10 6 8 11 13 14 15 16 21 22 17 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 2021.10.14 426 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000000000000000000000000000000000000003C60C1000000000000B1F400001E00100000000C0CC19F0633F6F6C81400A003266264008288292122A00998A03E6C988C2EA2C4F9DB8434286CC013C8E827B0C0100E00000100000200000000020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3-methoxyphenyl)methyl]-2-phenyl-quinazolin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3-methoxyphenyl)methyl]-2-phenyl-4-quinazolinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(3-methoxyphenyl)methyl]-2-phenylquinazolin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3-methoxyphenyl)methyl]-2-phenylquinazolin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(3-methoxyphenyl)methyl]-2-phenyl-quinazolin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 m-anisyl-(2-phenylquinazolin-4-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H19N3O/c1-26-18-11-7-8-16(14-18)15-23-22-19-12-5-6-13-20(19)24-21(25-22)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WBSINXUWEHFSSI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.3 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 COC1=CC=CC(=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=CC(=C1)CNC2=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 47 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