53383353 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 8 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 5 5 5 6 6 6 7 7 8 8 8 8 9 9 9 10 10 11 11 13 13 14 15 16 17 17 18 18 19 19 20 20 21 22 23 23 24 24 25 25 26 26 27 27 28 28 30 31 31 31 12 14 21 30 29 31 11 13 14 12 18 38 15 16 9 10 11 32 10 33 34 35 36 12 37 15 17 16 19 21 20 39 23 24 22 40 22 41 25 42 26 43 27 44 28 45 29 46 29 47 30 48 49 50 51 52 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 11 5 8 12 37 3 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 4.5981 8.0622 8.1667 2 6.3301 5.4641 6.3301 7.1962 7.6962 8.1962 6.3301 5.4641 5.4641 7.1962 5.4641 7.1962 4.5702 4.5981 4.5702 3.6641 8.0622 3.6641 4.5981 3.732 8.9757 3.732 2.866 9.6448 2.866 9.1448 2 6.7578 7.2212 8.1711 8.7788 8.3038 5.7932 6.001 4.5773 4.5773 3.1284 3.1284 5.135 3.732 9.1046 3.732 2.3291 10.2615 9.397 1.38 2 2.62 0.1488 1.1488 4.1433 -3.3512 1.1488 -1.3512 3.1488 -0.3512 -1.2172 -0.3512 0.1488 -0.3512 1.6488 1.6488 2.6488 2.6488 1.1141 -1.8512 3.1834 1.628 3.1488 2.6696 -2.8512 -1.3512 2.742 -3.3512 -1.8512 3.4852 -2.8512 4.3512 -4.3512 -0.7896 -1.6158 -1.6158 -0.5633 0.2594 0.4588 -1.6612 0.4942 3.8034 1.3159 2.9817 -3.1612 -0.7312 2.1356 -3.9712 -1.5412 3.4204 4.9176 -4.3512 -4.9712 -4.3512 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 7 7 11 13 13 14 15 17 18 18 19 20 21 23 24 25 26 27 28 21 30 13 14 15 16 12 15 17 16 19 20 23 24 22 22 25 26 27 28 29 29 30 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 714 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B380000000000000000000000180000012000000030608000000000000081D000001E00100000000D2CE1900632C683C00440A801AD72D404820800252200088801AE7CD80C66BECCB5BB963928E6F611C8E987B848000800400000000000200080000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-N-(4-methoxyphenyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-N-(4-methoxyphenyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-<I>N</I>-(4-methoxyphenyl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-N-(4-methoxyphenyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-cyclopropyl-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]-N-(4-methoxyphenyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H21N3O4/c1-30-17-12-10-16(11-13-17)25-23(28)22(15-8-9-15)27-19-6-3-2-5-18(19)26-21(24(27)29)20-7-4-14-31-20/h2-7,10-15,22H,8-9H2,1H3,(H,25,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MIRJTHXBAQJUGP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 415.15320616 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H21N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 415.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)NC(=O)C(C2CC2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)NC(=O)C(C2CC2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 84.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 415.15320616 31 1 0 1 0 0 0 0 1 -1