53347938 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 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 2 3 3 3 4 4 5 5 5 6 6 7 7 7 8 9 10 10 11 13 13 14 14 15 15 16 16 17 17 18 19 19 20 21 22 22 23 23 24 24 25 26 12 21 10 12 27 8 11 9 21 30 25 26 8 9 13 12 14 11 15 16 17 28 18 29 19 31 20 32 18 33 34 20 35 36 22 23 24 25 37 26 38 39 40 2 2 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 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 6.3981 6.3981 4.666 4.666 5.5321 2.934 6.3981 5.5321 6.3981 3.8 3.8 5.5321 7.2641 7.2641 2.9061 2.9061 8.1301 8.1301 2 2 5.5321 4.666 3.8 4.666 2.934 3.8 4.666 7.2641 7.2641 4.9951 2.9132 2.9132 8.6671 8.6671 1.4643 1.4643 3.8 5.203 2.397 3.8 -2.94 2.06 -2.94 -0.94 0.56 3.06 -0.94 -1.44 0.06 -2.44 -1.44 -2.44 -1.44 0.56 -2.9747 -0.9053 -0.94 0.06 -2.4608 -1.4192 1.56 2.06 1.56 3.06 2.06 3.56 -3.56 -2.06 1.18 0.25 -3.5946 -0.2854 -1.25 0.37 -2.7729 -1.1071 0.94 3.37 1.75 4.18 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 7 7 8 9 10 10 11 13 14 15 16 17 19 22 22 23 24 10 12 8 11 25 26 9 13 12 14 11 15 16 17 18 19 20 18 20 23 24 25 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 570 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07BB0000000000000000000000000000000000000003C608100000000000081D000001E00100000000C08C19A043CC092C81000A8033577540082802035022008D8213874D80860F2C09591942108609400C8C9871C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]pyridine-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]pyridine-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]pyridine-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]pyridine-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]isonicotinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H14N4O2/c25-19(13-9-11-21-12-10-13)23-15-6-2-1-5-14(15)18-20(26)24-17-8-4-3-7-16(17)22-18/h1-12H,(H,23,25)(H,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CAZHCUYLLLMLOI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.11167570 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H14N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C4=CC=NC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C4=CC=NC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 83.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.11167570 26 0 0 0 0 0 0 0 1 -1