53347979 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 23 23 24 24 25 25 26 12 21 10 12 27 8 11 9 21 32 22 25 8 9 13 12 14 11 15 16 17 28 18 29 19 30 20 31 18 33 34 20 35 36 22 23 24 37 26 38 26 40 39 2 2 1 1 1 2 1 1 1 1 1 2 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 2 1 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 3.8 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 4.666 3.8 2.934 2.934 4.666 7.2641 7.2641 2.9132 2.9132 4.9951 8.6671 8.6671 1.4643 1.4643 5.203 3.8 2.397 2.397 -2.94 2.06 -2.94 -0.94 0.56 1.56 -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 3.06 3.56 2.06 3.06 -3.56 -2.06 1.18 -3.5946 -0.2854 0.25 -1.25 0.37 -2.7729 -1.1071 3.37 4.18 3.37 1.75 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 23 24 25 10 12 8 11 22 25 9 13 12 14 11 15 16 17 18 19 20 18 20 23 24 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 576 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07BB0000000000000000000000000000000000000003C608100000000000081D000001E00100000000C08C19E043CC092C81000A8033577540082802037022008D821B874D80860F2C095B1942108609400C8C9871C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]pyridine-2-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-pyridinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]pyridine-2-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]pyridine-2-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]pyridine-2-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]picolinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H14N4O2/c25-19(17-11-5-6-12-21-17)23-14-8-2-1-7-13(14)18-20(26)24-16-10-4-3-9-15(16)22-18/h1-12H,(H,23,25)(H,24,26) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QLAGTTKXNSYXDL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.4 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 2019.06.18 C20H14N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C4=CC=CC=N4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C4=CC=CC=N4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 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