40485375 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 -1 1 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 10 11 11 12 12 13 13 14 14 15 17 18 18 18 18 20 20 20 21 21 22 22 23 23 23 24 24 25 16 19 26 26 9 19 29 14 16 31 10 15 9 10 11 13 16 12 27 17 20 17 28 15 21 22 30 19 23 32 33 34 35 36 24 37 25 38 26 39 40 25 41 42 2 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 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 6.3981 6.3981 3.8 2.934 5.5321 4.666 4.666 6.3981 6.3981 5.5321 7.2641 8.1301 7.2641 3.8 3.8 5.5321 8.1301 4.666 5.5321 8.9962 2.9061 2.9061 4.666 2 2 3.8 7.2641 7.2641 4.9951 8.6671 4.666 4.0555 4.454 8.6862 9.5331 9.3062 2.9132 2.9132 5.2766 4.8781 1.4643 1.4643 -3.44 1.56 4.06 2.56 0.06 -3.44 -1.44 -1.44 -0.44 -1.94 -1.94 -1.44 0.06 -2.94 -1.94 -2.94 -0.44 1.56 1.06 -1.94 -3.4747 -1.4053 2.56 -2.9608 -1.9192 3.06 -2.56 0.68 -0.25 -0.13 -4.06 1.6677 0.9774 -2.4769 -2.25 -1.4031 -4.0946 -0.7854 2.4523 3.1426 -3.2729 -1.6071 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 8 9 10 11 12 13 14 14 15 21 22 24 14 16 10 15 9 11 13 16 12 17 17 15 21 22 24 25 25 -1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 598 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 2 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 00000371E07B3800000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C882C00000A80325F25C008200002102000888012074980860B2C09591942008649400C8C8073F88C08E08000200000200201000040000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)anilino]-4-oxo-butanoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)anilino]-4-oxobutanoate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[4-methyl-2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)anilino]-4-oxobutanoate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)anilino]-4-oxobutanoate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[[4-methyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]amino]-4-oxidanylidene-butanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-keto-4-[2-(3-keto-4H-quinoxalin-2-yl)-4-methyl-anilino]butyrate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H17N3O4/c1-11-6-7-13(20-16(23)8-9-17(24)25)12(10-11)18-19(26)22-15-5-3-2-4-14(15)21-18/h2-7,10H,8-9H2,1H3,(H,20,23)(H,22,26)(H,24,25)/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IXTGAOMKAKHHCT-UHFFFAOYSA-M Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.11408100 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H16N3O4- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1)NC(=O)CCC(=O)[O-])C2=NC3=CC=CC=C3NC2=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1)NC(=O)CCC(=O)[O-])C2=NC3=CC=CC=C3NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 111 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.11408100 26 0 0 0 0 0 0 0 1 -1