67892095 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 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 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 6 6 7 7 7 8 8 8 9 9 10 11 11 12 13 13 14 15 15 16 17 18 19 19 20 20 21 21 23 23 24 24 25 25 25 26 26 27 27 28 29 30 31 32 33 33 33 17 28 18 29 22 32 9 11 10 12 13 22 37 21 22 40 10 14 15 12 17 18 14 16 34 16 35 36 19 20 23 38 24 39 26 27 28 41 29 42 30 31 32 30 43 31 44 45 46 47 48 33 49 50 51 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 2 2 1 1 1 1 2 1 2 1 2 1 2 1 1 1 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 14.2436 13.4346 7.1961 2.8602 11.598 11.598 8.0679 6.3359 10.732 10.732 12.4641 12.4641 8.932 9.8381 9.8381 8.932 13.3301 13.3301 13.4346 14.2436 5.4679 7.2 14.4128 14.9128 3.732 4.6038 5.4641 14.9128 14.4128 3.7359 4.5961 2.8641 2 9.8452 9.8452 8.3963 8.0703 12.9739 14.3725 6.3383 14.6649 15.5294 4.6062 5.9998 15.5294 14.6649 3.2002 4.5937 1.6879 1.4643 2.3121 -0.5933 1.9945 0.4725 1.9558 -1 1 -1.0241 -1.0308 -0.5 0.5 -0.5 0.5 -0.5208 -1.0347 1.0347 0.5208 -1 1 -1.9945 0.5933 -0.5342 -0.5275 -2.2024 1.3364 0.4591 -1.0375 0.4658 -1.3364 2.2024 -0.5408 0.9625 0.9558 0.4525 -1.6546 1.6546 0.8329 -1.6442 -2.4094 -0.0132 -1.6508 -2.7688 1.2716 -1.6575 0.7779 -1.2716 2.7688 -0.8529 1.5825 0.9882 0.1404 -0.0833 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 6 6 9 9 10 11 13 13 15 17 18 19 20 21 21 23 24 25 25 26 27 17 28 18 29 9 11 10 12 10 14 15 12 14 16 16 19 20 23 24 26 27 28 29 30 31 30 31 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 698 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 2 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 00000371E07BB8000000000000000000000000000001224000003C6080000000000000B1FE00001E00100000000C0CA19E0233C4B2C81440A803AC72D404828824273220089821B67CD88E66FAC4F5FB973DA8EED413D8E9E7DBD9A39E08008000040000201001000008000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-acetylphenyl)-3-[2,3-bis(2-furyl)quinoxalin-6-yl]urea IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-acetylphenyl)-3-[2,3-bis(2-furanyl)-6-quinoxalinyl]urea IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-acetylphenyl)-3-[2,3-bis(furan-2-yl)quinoxalin-6-yl]urea IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-acetylphenyl)-3-[2,3-bis(furan-2-yl)quinoxalin-6-yl]urea IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-ethanoylphenyl)urea IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-acetylphenyl)-3-[2,3-bis(2-furyl)quinoxalin-6-yl]urea InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C25H18N4O4/c1-15(30)16-6-8-17(9-7-16)26-25(31)27-18-10-11-19-20(14-18)29-24(22-5-3-13-33-22)23(28-19)21-4-2-12-32-21/h2-14H,1H3,(H2,26,27,31) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LGYPPKDAMBTJHH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 438.13280507 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C25H18N4O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 438.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 110 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 438.13280507 33 0 0 0 0 0 0 0 1 -1