41272348 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 2 3 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 11 11 11 12 12 12 13 13 14 14 15 16 16 17 17 18 18 19 21 21 22 23 23 24 24 25 25 26 10 20 7 8 9 27 10 13 40 18 20 45 15 19 10 28 29 11 30 31 12 32 33 34 35 36 37 38 39 14 16 15 17 20 21 41 22 42 19 23 24 22 43 44 25 46 26 47 26 48 49 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 2 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 6.3981 6.3981 4.666 5.5321 4.666 4.666 4.666 4.666 3.666 5.5321 3.8 3.166 6.3981 6.3981 5.5321 7.2641 7.2641 3.8 3.8 5.5321 8.1301 8.1301 2.9061 2.9061 2 2 5.286 4.0555 4.454 5.2766 4.8781 3.7737 3.0834 4.11 3.2631 3.49 2.6291 2.856 3.703 4.9951 7.2641 7.2641 8.6671 8.6671 4.666 2.9132 2.9132 1.4643 1.4643 1.56 -3.44 2.56 0.06 -3.44 -1.44 1.56 3.56 2.56 1.06 4.06 1.694 -0.44 -1.44 -1.94 0.06 -1.94 -2.94 -1.94 -2.94 -0.44 -1.44 -3.4747 -1.4053 -2.9608 -1.9192 2.56 1.6677 0.9774 3.4523 4.1426 3.1706 2.772 4.5969 4.37 3.5231 2.004 1.157 1.384 -0.25 0.68 -2.56 -0.13 -1.75 -4.06 -4.0946 -0.7854 -3.2729 -1.6071 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 13 13 14 15 16 17 18 18 19 21 23 24 25 18 20 15 19 14 16 17 20 21 22 19 23 24 22 25 26 26 1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 544 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB000000000000000000000000000000000000000306080000000000000814000001E00100000000C08C1980432C083C00000A80325725400820000210200088881A874980860B2C095B1942008609400C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 diethyl-[2-oxo-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]ethyl]ammonium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 diethyl-[2-oxo-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]ethyl]ammonium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 diethyl-[2-oxo-2-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)anilino]ethyl]azanium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 diethyl-[2-oxo-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]ethyl]azanium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 diethyl-[2-oxidanylidene-2-[[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]amino]ethyl]azanium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 diethyl-[2-keto-2-[2-(3-keto-4H-quinoxalin-2-yl)anilino]ethyl]ammonium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H22N4O2/c1-3-24(4-2)13-18(25)21-15-10-6-5-9-14(15)19-20(26)23-17-12-8-7-11-16(17)22-19/h5-12H,3-4,13H2,1-2H3,(H,21,25)(H,23,26)/p+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZVCKRNZWLYWBAB-UHFFFAOYSA-O Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.18210099 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H23N4O2+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC[NH+](CC)CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC[NH+](CC)CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 75 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.18210099 26 0 0 0 0 0 0 0 1 -1