66901658 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 48 49 50 51 8 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 6 1 1 1 1 1 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 4 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 14 14 15 16 16 17 18 18 19 20 20 21 22 22 23 23 24 24 25 25 26 27 27 27 10 11 19 27 7 8 9 12 13 40 13 17 15 17 10 28 29 11 30 31 12 32 33 34 35 36 37 38 39 14 15 16 18 19 41 20 21 42 21 22 23 43 24 44 25 45 26 46 26 47 48 49 50 51 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 1 1 1 1 2 1 1 2 1 1 2 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 47 48 49 50 51 9.8622 2.868 8.1301 6.3981 7.2641 6.3981 8.9962 8.1301 7.2641 9.8622 8.9962 7.2641 6.3981 5.532 5.532 4.6381 7.2641 4.6381 3.732 8.1301 3.732 8.9962 8.1301 9.8622 8.9962 9.8622 2 9.3947 8.5976 7.5195 7.9181 6.6535 7.052 10.4728 10.0742 8.5976 9.3947 7.8747 7.4762 5.8611 4.6453 4.6453 3.1963 8.9962 7.5932 10.3991 8.9962 10.3991 2.3079 1.4619 1.6921 -3.5 0.4758 -2.5 -0.5 1 2.5 -2 -3.5 -2 -2.5 -4 -1 0.5 1 2 0.4653 2 2.5347 0.9792 2.5 2.0208 2 3.5 2.5 4 3.5 0.9725 -1.525 -1.525 -3.3923 -4.0826 -1.8923 -2.5826 -2.6077 -1.9174 -4.475 -4.475 -1.1077 -0.4174 -0.81 -0.1546 3.1546 2.3329 1.38 3.81 2.19 4.62 3.81 1.5106 1.2804 0.4344 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 13 14 14 15 16 18 19 20 20 22 23 24 25 13 17 15 17 14 15 16 18 19 21 21 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 2021.10.14 440 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1F400001E00100000000C0CE19F0633F6F7C81400A003266264008288292122A00998A03E6C988E6EA2C4F9DB9734286CD013D8E827B0C0100E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-N-(2-morpholinoethyl)-2-phenyl-quinazolin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-N-[2-(4-morpholinyl)ethyl]-2-phenyl-4-quinazolinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-<I>N</I>-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-N-(2-morpholin-4-ylethyl)-2-phenylquinazolin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-quinazolin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-methoxy-2-phenyl-quinazolin-4-yl)-(2-morpholinoethyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H24N4O2/c1-26-17-7-8-19-18(15-17)21(22-9-10-25-11-13-27-14-12-25)24-20(23-19)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,22,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VMVSPXULGVSIBX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 364.18992602 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H24N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 364.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)N=C(N=C2NCCN3CCOCC3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)N=C(N=C2NCCN3CCOCC3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 59.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 364.18992602 27 0 0 0 0 0 0 0 1 -1