10869644 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 7 7 8 8 9 11 11 12 12 13 13 14 14 15 16 17 17 18 18 19 20 21 21 21 10 20 8 10 22 6 9 13 20 31 7 10 11 12 9 14 17 15 23 16 24 15 16 18 27 25 26 19 28 19 29 30 21 32 33 34 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 2 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 6.3981 8.1301 4.666 4.666 8.9962 5.5321 6.3981 3.8 3.8 5.5321 7.2641 6.3981 8.1301 2.9061 8.1301 7.2641 2.9061 2 2 8.9962 9.8622 4.666 7.2641 5.8612 8.6671 7.2641 2.9132 2.9132 1.4643 1.4643 9.5331 10.1722 10.3991 9.5522 -2.19 2.81 -2.19 -0.19 1.31 -0.69 -0.19 -1.69 -0.69 -1.69 -0.69 0.81 0.81 -2.2247 -0.19 1.31 -0.1553 -1.7108 -0.6692 2.31 2.81 -2.81 -1.31 1.12 -0.5 1.93 -2.8446 0.4646 -2.0229 -0.3571 1 2.2731 3.12 3.3469 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 7 7 8 8 9 11 12 13 13 14 17 18 8 10 6 9 10 11 12 9 14 17 15 16 15 16 18 19 19 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 452 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071888808E08000000000000201000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(3-keto-4H-quinoxalin-2-yl)phenyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H13N3O2/c1-10(20)17-12-8-6-11(7-9-12)15-16(21)19-14-5-3-2-4-13(14)18-15/h2-9H,1H3,(H,17,20)(H,19,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GMKWKROQLGAJDO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 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 2021.05.07 C16H13N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 279.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 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