46395267 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 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 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 9 10 10 12 12 12 13 13 14 14 15 15 16 16 16 17 17 18 19 20 20 20 21 21 23 23 24 25 25 26 26 27 27 28 28 30 30 30 11 22 29 30 7 11 16 8 9 20 22 43 9 13 10 11 17 14 15 18 19 22 23 31 18 32 19 33 34 35 36 24 37 38 39 21 40 41 25 26 24 42 44 27 45 28 46 29 47 29 48 49 50 51 2 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 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 6.3981 9.8622 9.8622 4.666 4.666 8.9962 3.8 5.5321 3.8 6.3981 5.5321 8.1301 2.9061 6.3981 7.2641 4.666 2.9061 7.2641 8.1301 9.8622 9.8622 8.9962 2 2 10.7282 8.9962 10.7282 8.9962 9.8622 10.7282 2.9132 5.8612 7.2641 4.046 4.666 5.286 2.9132 7.2641 8.6671 10.0742 10.4728 1.4643 8.4592 1.4643 11.2651 8.4592 11.2651 8.4592 11.0382 11.2651 10.4182 -4.25 -1.25 4.75 -4.25 -2.25 0.25 -3.75 -2.75 -2.75 -2.25 -3.75 -1.25 -4.2847 -1.25 -2.75 -5.25 -2.2153 -0.75 -2.25 0.75 1.75 -0.75 -3.7708 -2.7292 2.25 2.25 3.25 3.25 3.75 5.25 -4.9046 -0.94 -3.37 -5.25 -5.87 -5.25 -1.5954 -0.13 -2.56 0.1674 0.8577 -4.0829 0.56 -2.4171 1.94 1.94 3.56 3.56 4.7131 5.56 5.7869 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 8 9 10 10 12 12 13 14 15 17 21 21 23 25 26 27 28 7 11 8 9 9 13 11 17 14 15 18 19 23 18 19 24 25 26 24 27 28 29 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 648 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 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0CC1980632C683C00400A803257254008208002522000888812E7CD80C66B2C4B59B94312864C611C8E98798D8C28E6000000000000020C000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-methoxyphenyl)methyl]-4-(4-methyl-3-oxo-quinoxalin-2-yl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-methoxyphenyl)methyl]-4-(4-methyl-3-oxo-2-quinoxalinyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(4-methoxyphenyl)methyl]-4-(4-methyl-3-oxoquinoxalin-2-yl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-methoxyphenyl)methyl]-4-(4-methyl-3-oxoquinoxalin-2-yl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-methoxyphenyl)methyl]-4-(4-methyl-3-oxidanylidene-quinoxalin-2-yl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(3-keto-4-methyl-quinoxalin-2-yl)-N-p-anisyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H21N3O3/c1-27-21-6-4-3-5-20(21)26-22(24(27)29)17-9-11-18(12-10-17)23(28)25-15-16-7-13-19(30-2)14-8-16/h3-14H,15H2,1-2H3,(H,25,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ISDFQHCIRLIUSF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 399.15829154 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H21N3O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 399.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C2=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 CN1C2=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 2021.10.14 399.15829154 30 0 0 0 0 0 0 0 1 -1