46395208 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 8 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 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 2 3 3 4 4 4 5 5 6 6 6 7 7 8 8 8 9 9 10 12 12 13 13 14 14 15 15 15 16 16 17 17 18 18 18 19 19 20 21 22 23 23 23 25 25 26 26 27 27 28 28 29 29 31 31 31 11 24 30 31 7 8 11 9 10 23 24 47 10 13 15 32 33 11 12 14 16 17 19 34 22 35 36 37 38 20 39 21 40 20 21 24 22 41 42 43 44 25 45 46 26 27 28 48 29 49 30 50 30 51 52 53 54 2 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 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 6.3981 9.8622 9.8622 4.666 4.666 8.9962 3.8 4.666 5.5321 3.8 5.5321 6.3981 2.9061 2.9061 3.8 7.2641 6.3981 8.1301 2 8.1301 7.2641 2 9.8622 8.9962 9.8622 8.9962 10.7282 8.9962 10.7282 9.8622 10.7282 4.8781 5.2766 2.9132 2.9132 3.49 3.2631 4.11 7.2641 5.8612 1.4643 8.6671 7.2641 1.4643 10.0742 10.4728 8.4592 8.4592 11.2651 8.4592 11.2651 11.0382 11.2651 10.4182 -4 -1 5 -4 -2 0.5 -3.5 -5 -2.5 -2.5 -3.5 -2 -4.0347 -1.9653 -5.5 -2.5 -1 -1 -3.5208 -2 -0.5 -2.4792 1 -0.5 2 2.5 2.5 3.5 3.5 4 5.5 -5.5826 -4.8923 -4.6546 -1.3454 -4.9631 -5.81 -6.0369 -3.12 -0.69 -3.8329 -2.31 0.12 -2.1671 0.4174 1.1077 0.81 2.19 2.19 3.81 3.81 4.9631 5.81 6.0369 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 7 7 9 10 12 12 13 14 16 17 18 18 19 25 25 26 27 28 29 7 11 9 10 10 13 11 14 16 17 19 22 20 21 20 21 22 26 27 28 29 30 30 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 663 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0CC1980632C683C00400A803257254008208002522000888812E7CD80C66B2C4B59B94312864C611C8E98798D8C28E6000000000000020C000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethyl-3-oxo-quinoxalin-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethyl-3-oxo-2-quinoxalinyl)-N-[(4-methoxyphenyl)methyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethyl-3-oxoquinoxalin-2-yl)-<I>N</I>-[(4-methoxyphenyl)methyl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethyl-3-oxidanylidene-quinoxalin-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(4-ethyl-3-keto-quinoxalin-2-yl)-N-p-anisyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C25H23N3O3/c1-3-28-22-7-5-4-6-21(22)27-23(25(28)30)18-10-12-19(13-11-18)24(29)26-16-17-8-14-20(31-2)15-9-17/h4-15H,3,16H2,1-2H3,(H,26,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IHBWGZIDOBEOLC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 413.17394160 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C25H23N3O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 413.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 71 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 413.17394160 31 0 0 0 0 0 0 0 1 -1