69623070 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 7 8 8 9 9 9 10 11 11 12 12 14 16 16 17 17 17 18 18 19 19 20 20 21 21 22 23 23 24 24 25 13 15 8 9 31 12 13 17 10 14 15 44 45 8 10 26 27 28 29 11 15 30 13 18 19 14 16 20 21 32 33 34 35 23 36 24 37 22 38 22 39 40 25 41 25 42 43 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 9 3 15 11 30 2 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 6.3981 5.5321 7.2641 4.666 4.666 6.3981 6.3981 6.3981 7.2641 5.5321 8.1301 3.8 5.5321 3.8 6.3981 2.9061 4.666 8.1301 8.9962 2.9061 2 2 8.9962 9.8622 9.8622 6.6101 7.0087 6.186 5.7875 7.801 7.801 2.9132 4.046 4.666 5.286 7.5932 8.9962 2.9132 1.4643 1.4643 8.9962 10.3991 10.3991 5.8612 6.935 -2.75 1.75 0.75 -2.75 -0.75 3.25 -0.75 0.25 1.75 -1.25 2.25 -2.25 -2.25 -1.25 2.25 -2.7847 -3.75 3.25 1.75 -0.7153 -2.2708 -1.2292 3.75 2.25 3.25 -1.3326 -0.6423 0.8326 0.1423 1.44 0.44 -3.4046 -3.75 -4.37 -3.75 3.56 1.13 -0.0954 -2.5829 -0.9171 4.37 1.94 3.56 3.56 3.56 8 8 8 8 5 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 9 10 11 11 12 12 14 16 18 19 20 21 23 24 12 13 10 14 3 13 18 19 14 16 20 21 23 24 22 22 25 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 528 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 00000371E07BB000000000000000000000000000000000000000306080000000000000814000001E00100000000C28C1980432C083C00000A80325725400820000210200088881B87488086032C095B1942008609600C8C8071C88808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R)-2-[2-(4-methyl-3-oxo-quinoxalin-2-yl)ethylamino]-2-phenyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R)-2-[2-(4-methyl-3-oxo-2-quinoxalinyl)ethylamino]-2-phenylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2<I>R</I>)-2-[2-(4-methyl-3-oxoquinoxalin-2-yl)ethylamino]-2-phenylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R)-2-[2-(4-methyl-3-oxoquinoxalin-2-yl)ethylamino]-2-phenylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R)-2-[2-(4-methyl-3-oxidanylidene-quinoxalin-2-yl)ethylamino]-2-phenyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R)-2-[2-(3-keto-4-methyl-quinoxalin-2-yl)ethylamino]-2-phenyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H20N4O2/c1-23-16-10-6-5-9-14(16)22-15(19(23)25)11-12-21-17(18(20)24)13-7-3-2-4-8-13/h2-10,17,21H,11-12H2,1H3,(H2,20,24)/t17-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XYLVGZJTLUMBOA-QGZVFWFLSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 336.15862589 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H20N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 336.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=CC=CC=C2N=C(C1=O)CCNC(C3=CC=CC=C3)C(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=CC=CC=C2N=C(C1=O)CCN[C@H](C3=CC=CC=C3)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 87.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 336.15862589 25 1 1 0 0 0 0 0 1 -1