68862682 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 8 8 8 9 10 10 10 12 12 13 13 14 16 16 16 17 17 18 18 19 19 20 20 21 21 22 23 23 24 24 25 11 15 7 8 28 11 13 16 9 14 15 43 44 9 10 26 12 15 27 11 29 30 31 18 19 14 17 20 32 33 34 21 35 23 36 24 37 22 38 22 39 40 25 41 25 42 45 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 7 3 10 9 26 2 1 8 3 15 12 27 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 8.1301 6.3981 4.666 4.666 8.9962 6.3981 7.2641 5.5321 7.2641 5.5321 7.2641 3.8 3.8 8.1301 4.666 2.9061 6.3981 8.1301 2.9061 2 2 6.3981 8.1301 7.2641 6.935 6.7272 5.8612 6.9541 7.801 7.5741 4.046 4.666 5.286 2.9132 5.8612 8.6671 2.9132 1.4643 1.4643 5.8612 8.6671 9.5331 8.9962 7.2641 -2.75 -0.75 0.25 -2.75 -0.75 0.75 -0.75 0.75 -1.25 -1.25 -2.25 1.75 -2.25 -1.25 0.25 -3.75 -2.7847 2.25 2.25 -0.7153 -2.2708 -1.2292 3.25 3.25 3.75 -0.44 1.06 0.56 -1.7869 -1.56 -0.7131 -3.75 -4.37 -3.75 -3.4046 1.94 1.94 -0.0954 -2.5829 -0.9171 3.56 3.56 0.44 1.37 4.37 8 8 8 8 5 6 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 8 9 12 12 13 13 14 17 18 19 20 21 23 24 11 13 9 14 3 3 11 18 19 14 17 20 21 23 24 22 22 25 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 542 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB000000000000000000000000000000000000000306080000000000000814000001E00100000000C28C1980432C083C00000A80325725400820000210200088881B8748808603AC0D5B1942008609600C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-2-[[(1S)-1-(4-methyl-3-oxo-quinoxalin-2-yl)ethyl]amino]-2-phenyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-2-[[(1S)-1-(4-methyl-3-oxo-2-quinoxalinyl)ethyl]amino]-2-phenylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2<I>R</I>)-2-[[(1<I>S</I>)-1-(4-methyl-3-oxoquinoxalin-2-yl)ethyl]amino]-2-phenylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-2-[[(1S)-1-(4-methyl-3-oxoquinoxalin-2-yl)ethyl]amino]-2-phenylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-2-[[(1S)-1-(4-methyl-3-oxidanylidene-quinoxalin-2-yl)ethyl]amino]-2-phenyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-2-[[(1S)-1-(3-keto-4-methyl-quinoxalin-2-yl)ethyl]amino]-2-phenyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H20N4O2/c1-12(21-17(18(20)24)13-8-4-3-5-9-13)16-19(25)23(2)15-11-7-6-10-14(15)22-16/h3-12,17,21H,1-2H3,(H2,20,24)/t12-,17+/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BSDOQQIFGMHCTL-YVEFUNNKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 336.15862589 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H20N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 336.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C1=NC2=CC=CC=C2N(C1=O)C)NC(C3=CC=CC=C3)C(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[C@@H](C1=NC2=CC=CC=C2N(C1=O)C)N[C@H](C3=CC=CC=C3)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 87.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 336.15862589 25 2 2 0 0 0 0 0 1 -1