22997399 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 52 53 54 17 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 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 10 10 11 11 11 12 12 12 13 14 14 15 16 16 16 17 17 17 18 18 19 21 21 22 22 23 23 24 24 25 25 27 27 27 28 28 28 26 19 27 20 28 7 8 9 9 15 13 15 11 29 30 12 31 32 10 13 14 16 33 34 17 35 36 18 19 37 21 38 39 40 41 42 43 20 44 20 22 23 24 45 25 46 26 47 26 48 49 50 51 52 53 54 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 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 52 53 54 10.7282 2.868 2.868 6.3981 7.2641 6.3981 7.2641 5.532 6.3981 5.532 7.2641 5.532 5.532 4.6381 7.2641 8.1301 4.666 4.6381 3.732 3.732 8.1301 8.9962 8.1301 9.8622 8.9962 9.8622 2 2.8718 7.8747 7.4762 5.32 4.9215 6.6535 7.052 5.7441 6.1426 4.6453 7.8201 8.6671 8.4401 4.356 4.1291 4.976 4.6453 8.9962 7.5932 10.3991 8.9962 2.3079 1.4619 1.6921 3.4918 2.8742 2.2518 3.25 -0.2742 1.7742 -1.25 0.25 1.75 -1.75 -1.75 -0.25 0.25 -2.75 -2.75 1.25 -0.2847 1.25 -3.25 -3.25 1.7847 0.2292 1.2708 1.75 1.25 2.75 1.75 3.25 2.75 0.2225 2.7741 -1.8577 -1.1674 -1.1674 -1.8577 -2.6423 -3.3326 -3.3326 -2.6423 -0.9046 -3.7869 -3.56 -2.7131 -2.7131 -3.56 -3.7869 2.4046 0.63 3.06 1.44 3.87 0.7606 0.5304 -0.3156 2.7718 3.3941 2.7765 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 9 10 10 13 14 18 19 21 21 22 23 24 25 9 15 13 15 10 13 14 18 19 20 20 22 23 24 25 26 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 455 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000400000000000000000000000000000000003C6080000000000000B1F400001E02000000000C0EC19F2633F6F7081400A003266264008288292127A00998203EEE988D2EA2C5FBDB84342A6EC01BCAE827B0D0130E24400102000240004880020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dipropyl-quinazolin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dipropyl-4-quinazolinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenyl)-6,7-dimethoxy-<I>N</I>,<I>N</I>-dipropylquinazolin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dipropylquinazolin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dipropyl-quinazolin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [2-(4-chlorophenyl)-6,7-dimethoxy-quinazolin-4-yl]-dipropyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H26ClN3O2/c1-5-11-26(12-6-2)22-17-13-19(27-3)20(28-4)14-18(17)24-21(25-22)15-7-9-16(23)10-8-15/h7-10,13-14H,5-6,11-12H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ABWQMRMRVQKOMH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 399.1713548 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H26ClN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 399.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCN(CCC)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCN(CCC)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 47.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 399.1713548 28 0 0 0 0 0 0 0 1 -1