8256816 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 38 39 40 41 42 43 44 8 8 8 7 7 6 6 6 6 6 6 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 1 2 3 3 4 4 4 5 5 6 6 6 7 8 8 9 11 11 12 13 13 14 14 15 15 16 16 17 17 18 19 19 20 20 21 21 22 22 23 24 24 25 26 26 27 27 28 10 12 23 44 8 10 29 7 9 7 11 12 10 9 15 16 13 30 14 19 20 21 22 17 31 18 32 18 33 34 23 35 24 36 26 37 27 38 25 25 39 40 28 41 28 42 43 2 2 1 1 1 1 1 2 1 1 2 1 1 1 2 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 6 7 12 11 13 30 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 38 39 40 41 42 43 44 6.3981 7.2641 4.666 4.666 4.666 6.3981 5.5321 3.8 3.8 5.5321 6.3981 7.2641 5.5321 8.1301 2.9061 2.9061 2 2 5.5321 4.666 8.9962 8.1301 4.666 3.8 3.8 9.8622 8.9962 9.8622 4.666 6.935 2.9132 2.9132 1.4643 1.4643 6.069 4.666 8.9962 7.5932 3.2631 3.2631 10.3991 8.9962 10.3991 4.1291 -2.845 -2.345 3.155 -2.845 -0.845 -0.845 -1.345 -2.345 -1.345 -2.345 0.155 -1.345 0.655 -0.845 -2.8797 -0.8103 -2.3658 -1.3242 1.655 0.155 -1.345 0.155 2.155 0.655 1.655 -0.845 0.655 0.155 -3.465 0.465 -3.4996 -0.1904 -2.6779 -1.0121 1.965 -0.465 -1.965 0.465 0.345 1.965 -1.155 1.275 0.465 3.465 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 8 8 9 13 13 14 14 15 16 17 19 20 21 22 23 24 26 27 8 10 7 9 10 9 15 16 19 20 21 22 17 18 18 23 24 26 27 25 25 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 663 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100800000C0C81980030C682C00200A803A5725400820000252200088801267CD8086632C2959394710864D411C8D9879DC8908E00000100000000200000020000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(E)-1-benzoyl-2-(3-hydroxyphenyl)vinyl]-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(E)-1-(3-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(<I>E</I>)-1-(3-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(E)-1-(3-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(E)-1-(3-hydroxyphenyl)-3-oxidanylidene-3-phenyl-prop-1-en-2-yl]-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(E)-1-benzoyl-2-(3-hydroxyphenyl)vinyl]-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H16N2O3/c26-17-10-6-7-15(13-17)14-18(22(27)16-8-2-1-3-9-16)21-23(28)25-20-12-5-4-11-19(20)24-21/h1-14,26H,(H,25,28)/b18-14+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BYZNUHWGBYJHIQ-NBVRZTHBSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.11609238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H16N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C(=O)C(=CC2=CC(=CC=C2)O)C3=NC4=CC=CC=C4NC3=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=CC=C2)O)/C3=NC4=CC=CC=C4NC3=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 78.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.11609238 28 0 0 0 1 1 0 0 1 -1