24997532 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 8 8 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 2 3 3 3 4 4 5 5 5 5 6 6 7 7 8 9 9 12 12 13 13 14 14 15 15 16 16 17 18 18 19 19 20 10 11 6 11 23 7 8 9 10 21 22 8 12 10 11 13 14 15 16 24 17 25 18 26 19 27 17 28 29 20 30 20 31 32 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 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 7.2641 6.3981 4.666 4.666 6.3981 3.8 5.5321 3.8 7.2641 6.3981 5.5321 2.9061 2.9061 7.2641 8.1301 2 2 8.1301 8.9962 8.9962 6.186 5.7875 4.666 2.9132 2.9132 6.7272 8.1301 1.4643 1.4643 8.1301 9.5331 9.5331 -0.69 -2.19 -2.19 -0.19 0.81 -1.69 -0.69 -0.69 1.31 -0.19 -1.69 -2.2247 -0.1553 2.31 0.81 -1.7108 -0.6692 2.81 1.31 2.31 1.3926 0.7023 -2.81 -2.8446 0.4646 2.62 0.19 -2.0229 -0.3571 3.43 1 2.62 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 12 13 14 15 16 18 19 6 11 7 8 8 12 11 13 14 15 16 17 18 19 17 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 424 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000C0C81980030C082C00000A803A572540082000021020008880120748808603AC89591942008609400C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-phenylacetyl)-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(1-oxo-2-phenylethyl)-1H-quinoxalin-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-phenylacetyl)-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-phenylacetyl)-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-phenylethanoyl)-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-phenylacetyl)-1H-quinoxalin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H12N2O2/c19-14(10-11-6-2-1-3-7-11)15-16(20)18-13-9-5-4-8-12(13)17-15/h1-9H,10H2,(H,18,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VGIHQGGRFCZOJF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.089877630 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H12N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CC(=O)C2=NC3=CC=CC=C3NC2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CC(=O)C2=NC3=CC=CC=C3NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 58.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 264.089877630 20 0 0 0 0 0 0 0 1 -1