69717189 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 11 11 11 12 12 13 14 15 15 16 16 17 18 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 27 27 27 28 28 28 29 10 14 13 7 8 18 9 10 11 15 27 28 10 12 30 9 13 14 15 31 32 19 20 17 16 33 34 17 21 22 35 36 37 23 38 24 39 25 40 26 41 29 42 29 43 26 44 45 46 47 48 49 50 51 52 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 7 4 10 12 30 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 8.1962 4.666 4.666 6.426 6.426 7.2631 7.3321 5.5321 5.5321 7.3321 6.4144 8.1962 4.666 4.666 7.2746 3.8 3.8 6.4144 8.1923 9.0641 2.9061 2.9061 9.0564 9.9282 2 2 8.1232 6.3913 9.9243 7.3285 6.1957 5.8051 7.4934 7.8839 5.7945 6.4073 7.0344 7.6542 9.0665 2.9132 2.9132 9.054 10.4663 1.4643 1.4643 8.4394 8.6566 7.8071 6.6951 5.8508 6.0875 10.4601 0.2606 1.2365 -2.7635 -1.7982 0.2712 2.781 -1.2843 -1.2635 -0.2635 -0.2427 1.2711 -1.7877 -1.7635 0.2365 1.7811 -0.2635 -1.2635 -2.7981 -2.7877 -1.291 0.2712 -1.7982 -3.291 -1.7943 -0.2427 -1.2843 3.291 3.271 -2.7943 -1.9043 1.8512 1.1564 1.201 1.8958 -2.7909 -3.4181 -2.8053 -3.0956 -0.671 0.8911 -2.4181 -3.911 -1.4864 0.0694 -1.5964 2.7577 3.6072 3.8243 3.8114 3.5747 2.7305 -3.1064 3 8 8 8 8 8 8 8 8 8 8 8 8 7 12 12 16 16 17 19 20 21 22 23 24 25 12 19 20 17 21 22 23 24 25 26 29 29 26 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 723 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000306081000000000000B14000001E00000000000C2CC198043200830000008802A55250008200002400000888018804C80860328095319421086086008889C71989808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(dimethylamino)ethyl]-1-methyl-2-phenyl-2H-benzo[g]quinoxaline-3,5,10-trione IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(dimethylamino)ethyl]-1-methyl-2-phenyl-2H-benzo[g]quinoxaline-3,5,10-trione IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(dimethylamino)ethyl]-1-methyl-2-phenyl-2<I>H</I>-benzo[g]quinoxaline-3,5,10-trione IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(dimethylamino)ethyl]-1-methyl-2-phenyl-2H-benzo[g]quinoxaline-3,5,10-trione IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(dimethylamino)ethyl]-1-methyl-2-phenyl-2H-benzo[g]quinoxaline-3,5,10-trione IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2-(dimethylamino)ethyl]-1-methyl-2-phenyl-2H-benzo[g]quinoxaline-3,5,10-trione InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H23N3O3/c1-24(2)13-14-26-20-19(21(27)16-11-7-8-12-17(16)22(20)28)25(3)18(23(26)29)15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DIQZCOIKLUEXFY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 389.17394160 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H23N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 389.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C(C(=O)N(C2=C1C(=O)C3=CC=CC=C3C2=O)CCN(C)C)C4=CC=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C(C(=O)N(C2=C1C(=O)C3=CC=CC=C3C2=O)CCN(C)C)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 60.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 389.17394160 29 1 0 1 0 0 0 0 1 -1