5329484 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 8 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 3 3 3 4 4 5 5 6 6 6 8 9 9 10 10 11 11 12 13 13 14 14 15 15 16 16 16 17 18 19 20 20 21 22 22 23 23 24 24 25 25 26 27 27 27 11 16 12 27 7 9 28 7 21 8 21 7 8 10 13 14 15 12 29 18 19 17 17 30 18 31 19 32 20 33 34 37 35 36 22 23 38 24 39 25 40 26 41 26 42 43 44 45 46 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 2 1 2 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 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 46 9.8622 2.868 6.3981 7.2641 6.3981 5.532 6.3981 5.532 7.2641 4.6381 8.9962 3.732 4.6381 8.1301 7.2641 9.8622 3.732 8.9962 8.1301 10.7282 7.2641 10.7282 11.5942 11.5942 12.4602 12.4602 2 5.8611 4.6453 4.6453 8.1301 6.7272 9.2516 9.6501 9.5331 8.1301 3.1963 7.801 10.1913 11.5942 11.5942 12.9972 12.9972 2.3079 1.4619 1.6921 -1.0173 1.9585 0.9827 2.4827 3.9827 2.4827 1.9827 3.4827 0.4827 1.948 -0.5173 2.4618 4.0173 0.9827 -0.5173 -2.0173 3.5035 0.4827 -1.0173 -2.5173 3.4827 -3.5173 -2.0173 -4.0173 -2.5173 -3.5173 2.4552 0.6727 1.328 4.6373 1.6027 -0.8273 -1.9097 -2.5999 0.7927 -1.6373 3.8156 3.7927 -3.8273 -1.3973 -4.6373 -2.2073 -3.8273 2.9933 2.7631 1.917 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 6 6 6 8 9 9 10 11 11 12 13 14 15 20 20 22 23 24 25 7 21 8 21 7 8 10 13 14 15 12 18 19 17 17 18 19 22 23 24 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 435 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003C60C1000000000000B1F400001E00100000000C0CA19E0637F6F6C81400A003266364008288293122A009D8203E6C988C2EE2C4F9DB863C28ECD013C8E827B0C0300E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-benzyloxyphenyl)-6-methoxy-quinazolin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-N-(4-phenylmethoxyphenyl)-4-quinazolinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-<I>N</I>-(4-phenylmethoxyphenyl)quinazolin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-benzoxyphenyl)-(6-methoxyquinazolin-4-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H19N3O2/c1-26-19-11-12-21-20(13-19)22(24-15-23-21)25-17-7-9-18(10-8-17)27-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,23,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RARTTYYZTRKYDS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 357.147726857 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H19N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 357.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)OCC4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)OCC4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 56.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 357.147726857 27 0 0 0 0 0 0 0 1 -1