610518 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 8 8 7 7 7 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 2 3 3 3 4 4 5 5 5 6 6 6 7 8 8 9 10 12 12 13 13 14 14 15 15 16 16 17 18 18 19 20 21 21 21 11 20 8 11 22 7 10 9 20 28 7 9 12 11 10 14 13 15 16 23 17 24 18 25 19 26 17 27 29 19 30 31 21 32 33 34 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 2 1 1 1 1 1 1 1 1 2 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 6.3981 6.3981 4.666 4.666 5.5321 6.3981 5.5321 3.8 6.3981 3.8 5.5321 7.2641 7.2641 2.9061 2.9061 8.1301 8.1301 2 2 5.5321 4.666 4.666 7.2641 7.2641 2.9132 2.9132 8.6671 4.9951 8.6671 1.4643 1.4643 4.976 4.1291 4.356 -2.19 2.81 -2.19 -0.19 1.31 -0.19 -0.69 -1.69 0.81 -0.69 -1.69 -0.69 1.31 -2.2247 -0.1553 -0.19 0.81 -1.7108 -0.6692 2.31 2.81 -2.81 -1.31 1.93 -2.8446 0.4646 -0.5 1 1.12 -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 8 9 10 12 13 14 15 16 18 8 11 7 10 9 12 11 10 14 13 15 16 17 18 19 17 19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 460 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 00000371C07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[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-[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>-[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-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[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)phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H13N3O2/c1-10(20)17-12-7-3-2-6-11(12)15-16(21)19-14-9-5-4-8-13(14)18-15/h2-9H,1H3,(H,17,20)(H,19,21) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OBZQUEWUCBXGNU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 279.100776666 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H13N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 279.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O 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 2021.05.07 279.100776666 21 0 0 0 0 0 0 0 1 -1