54585165 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 55 8 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 6 6 6 7 7 8 8 9 9 10 11 11 11 12 12 13 14 15 15 15 16 16 17 17 18 20 21 22 22 23 23 24 25 26 27 27 28 28 29 29 30 30 31 32 33 33 33 34 34 34 20 31 21 32 24 33 25 34 19 15 19 40 9 12 10 13 10 14 17 14 18 19 13 20 21 37 16 35 36 22 23 18 38 39 27 28 24 41 26 42 25 26 43 29 44 30 45 31 46 32 47 48 49 50 51 52 53 54 55 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 2 1 1 2 1 2 1 1 1 1 1 1 2 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 52 53 54 55 14.2436 13.4346 4.5923 2.8641 8.0718 7.2 11.598 11.598 10.732 10.732 8.932 12.4641 12.4641 9.8381 6.3359 5.4679 9.8381 8.932 8.0679 13.3301 13.3301 5.4641 4.6038 4.5961 3.732 3.7359 13.4346 14.2436 14.4128 14.9128 14.9128 14.4128 3.7243 2 5.9392 6.7362 9.8452 9.8452 8.3963 7.1976 5.9998 4.6062 3.2002 12.9739 14.3725 14.6649 15.5294 15.5294 14.6649 4.0323 3.1862 3.4164 1.6879 1.4643 2.3121 -0.7216 1.8662 1.8341 0.8275 -2.1525 -0.6558 -1.1284 0.8716 -0.6284 0.3716 -0.6492 -0.6284 0.3716 -1.163 -1.1592 -0.6625 0.9063 0.3925 -1.1525 -1.1284 0.8716 0.3375 -1.1658 0.8341 0.3308 -0.6692 -2.1229 0.4649 -2.3308 1.2081 -1.4648 2.0741 2.3308 0.3241 -1.6357 -1.6326 -1.783 1.5263 0.7045 -0.0358 0.6495 -1.7858 -0.9813 -2.5377 -0.1415 -2.8972 1.1433 -1.4 2.6405 2.8689 2.6387 1.7927 0.8599 0.0121 -0.2116 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 7 7 8 8 9 9 10 11 11 12 16 16 17 20 21 22 23 24 25 27 28 29 30 20 31 21 32 9 12 10 13 10 14 17 14 18 13 22 23 18 27 28 24 26 25 26 29 30 31 32 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 681 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B38000000000000000000000000000001224000003C6080000000000000B1FE00001E00100000000C0CE19E0632C6B2C81440A803AD72D4048288242732200898A1BEFCD80F66FAC4B5BB9739AAE6C611DAE9C7FFD9B39E28000140000040205000028000008040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(3,4-dimethoxyphenyl)methyl]-2,3-bis(2-furyl)quinoxaline-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(3,4-dimethoxyphenyl)methyl]-2,3-bis(2-furanyl)-6-quinoxalinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(3,4-dimethoxyphenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(3,4-dimethoxyphenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(3,4-dimethoxyphenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(2-furyl)-N-veratryl-quinoxaline-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C26H21N3O5/c1-31-20-10-7-16(13-23(20)32-2)15-27-26(30)17-8-9-18-19(14-17)29-25(22-6-4-12-34-22)24(28-18)21-5-3-11-33-21/h3-14H,15H2,1-2H3,(H,27,30) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OKBYXASXZHTXBZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 455.14812078 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C26H21N3O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 455.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 99.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 455.14812078 34 0 0 0 0 0 0 0 1 -1