13266972 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 8 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 1 2 3 4 4 4 5 5 6 6 7 8 8 9 9 9 12 13 13 14 14 15 15 16 16 17 18 18 19 19 20 21 21 21 12 21 10 11 6 11 22 7 8 7 13 14 10 11 10 12 15 18 16 23 17 24 19 25 17 26 27 20 28 20 29 30 31 32 33 1 1 2 2 1 1 1 1 2 1 2 2 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 2 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 4.666 7.2641 6.3981 4.666 4.666 3.8 3.8 5.5321 6.3981 6.3981 5.5321 5.5321 2.9061 2.9061 7.2641 2 2 5.5321 7.2641 6.3981 3.8 4.666 2.9132 2.9132 7.801 1.4643 1.4643 4.9951 7.801 6.3981 4.11 3.2631 3.49 0.81 -0.69 -2.19 -2.19 -0.19 -1.69 -0.69 -0.69 0.81 -0.19 -1.69 1.31 -2.2247 -0.1553 1.31 -1.7108 -0.6692 2.31 2.31 2.81 1.31 -2.81 -2.8446 0.4646 1 -2.0229 -0.3571 2.62 2.62 3.43 1.8469 1.62 0.7731 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 8 9 9 12 13 14 15 16 18 19 6 11 7 8 7 13 14 11 12 15 18 16 17 19 17 20 20 0 Compound Canonicalized 5 2019.01.04 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 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371C07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000C0C81980232C682C00400A803A5725400820800252200088801267CC80C663ECCB59B94316864F411C8E98798DCA2CE00000000000800200000000000100040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-methoxybenzoyl)-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(2-methoxyphenyl)-oxomethyl]-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-methoxybenzoyl)-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-methoxybenzoyl)-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-methoxyphenyl)carbonyl-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-o-anisoyl-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H12N2O3/c1-21-13-9-5-2-6-10(13)15(19)14-16(20)18-12-8-4-3-7-11(12)17-14/h2-9H,1H3,(H,18,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OVSINYGMKOMBIQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 280.08479225 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H12N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 280.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1C(=O)C2=NC3=CC=CC=C3NC2=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1C(=O)C2=NC3=CC=CC=C3NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 67.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 280.08479225 21 0 0 0 0 0 0 0 1 -1