53233903 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 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 2 2 3 4 4 5 5 6 6 7 7 7 8 8 9 10 10 10 11 11 12 13 14 14 15 15 15 16 18 18 19 20 21 21 22 22 23 23 24 24 25 26 26 27 28 28 29 29 30 31 32 32 32 19 30 20 31 17 25 32 8 11 9 12 15 17 38 9 13 14 13 16 17 12 19 20 33 16 34 18 35 36 37 21 22 23 24 25 39 26 40 28 41 29 42 27 27 43 44 30 45 31 46 47 48 49 50 51 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 2 1 1 2 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 12.5193 11.7103 6.3474 2.868 9.8737 9.8737 5.4756 9.0077 9.0077 7.2077 10.7397 10.7397 8.1137 8.1137 4.6116 7.2077 6.3436 3.7436 11.6058 11.6058 3.7398 2.8795 11.7103 12.5193 2.8718 2.0116 2.0077 12.6884 13.1884 13.1884 12.6884 2 8.1209 8.1209 4.2148 5.0119 6.6719 5.4732 4.2755 2.8819 11.2495 12.6482 1.4758 1.4696 12.9406 13.805 13.805 12.9406 2.3079 1.4619 1.6921 -0.7216 1.8662 -2.1525 1.8341 -1.1284 0.8716 -0.6558 -0.6284 0.3716 -0.6492 -0.6284 0.3716 -1.163 0.9063 -1.1592 0.3925 -1.1525 -0.6625 -1.1284 0.8716 0.3375 -1.1658 -2.1229 0.4649 0.8341 -0.6692 0.3308 -2.3308 1.2081 -1.4648 2.0741 2.3308 -1.783 1.5263 -1.6357 -1.6326 0.7045 -0.0358 0.6495 -1.7858 -2.5377 -0.1415 -0.9813 0.6387 -2.8972 1.1433 -1.4 2.6405 2.8689 2.6387 1.7927 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 8 8 9 10 10 11 14 18 18 19 20 21 22 23 24 25 26 28 29 19 30 20 31 8 11 9 12 9 13 14 13 16 12 16 21 22 23 24 25 26 28 29 27 27 30 31 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 634 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 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 00000371E07B38000000000000000000000000000001224000003C6080000000000000B1FE00001E00100000000C0CE19E0632C6B2C81440A803AD72D4048288242732200898A1BE7CD80E66FAC4B5BB9739A8E6C611D8E9C7FFD9B39E08000140000000201000028000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(2-furyl)-N-[(3-methoxyphenyl)methyl]quinoxaline-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(2-furanyl)-N-[(3-methoxyphenyl)methyl]-6-quinoxalinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(furan-2-yl)-<I>N</I>-[(3-methoxyphenyl)methyl]quinoxaline-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(furan-2-yl)-N-[(3-methoxyphenyl)methyl]quinoxaline-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(furan-2-yl)-N-[(3-methoxyphenyl)methyl]quinoxaline-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(2-furyl)-N-m-anisyl-quinoxaline-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C25H19N3O4/c1-30-18-6-2-5-16(13-18)15-26-25(29)17-9-10-19-20(14-17)28-24(22-8-4-12-32-22)23(27-19)21-7-3-11-31-21/h2-14H,15H2,1H3,(H,26,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PWTCXYIPZKQAGO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.13755610 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C25H19N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)CNC(=O)C2=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 2021.05.07 90.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 425.13755610 32 0 0 0 0 0 0 0 1 -1