72100806 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 8 8 7 7 7 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 2 3 3 3 4 4 5 5 5 6 6 6 7 8 9 9 10 11 11 12 12 12 13 15 16 16 17 17 18 18 18 19 19 20 21 22 22 22 14 21 9 14 26 7 10 8 21 27 7 8 11 14 13 10 16 17 15 23 13 15 18 24 25 19 28 20 29 30 31 32 20 33 34 22 35 36 37 2 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 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 6.3981 6.3981 4.666 4.666 5.5321 6.3981 5.5321 6.3981 3.8 3.8 7.2641 8.1301 7.2641 5.5321 8.1301 2.9061 2.9061 8.9962 2 2 5.5321 4.666 7.2641 7.2641 8.6671 4.666 4.9951 2.9132 2.9132 9.3062 9.5331 8.6862 1.4643 1.4643 4.976 4.1291 4.356 -2.19 2.81 -2.19 -0.19 1.31 -0.19 -0.69 0.81 -1.69 -0.69 -0.69 0.81 1.31 -1.69 -0.19 -2.2247 -0.1553 1.31 -1.7108 -0.6692 2.31 2.81 -1.31 1.93 -0.5 -2.81 1 -2.8446 0.4646 0.7731 1.62 1.8469 -2.0229 -0.3571 3.3469 3.12 2.2731 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 7 8 9 9 10 11 12 12 16 17 19 9 14 7 10 8 11 14 13 10 16 17 15 13 15 19 20 20 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 488 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88C08E40000040000200208000008000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[5-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[5-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[5-methyl-2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[5-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[5-methyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-keto-4H-quinoxalin-2-yl)-5-methyl-phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H15N3O2/c1-10-7-8-12(15(9-10)18-11(2)21)16-17(22)20-14-6-4-3-5-13(14)19-16/h3-9H,1-2H3,(H,18,21)(H,20,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DZSFNZMRPQIXRK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.116426730 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H15N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.32 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 70.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.116426730 22 0 0 0 0 0 0 0 1 -1