18593117 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 45 46 47 8 8 7 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 1 1 1 2 2 3 3 3 4 4 5 5 6 6 7 7 8 8 9 10 12 12 13 13 14 14 15 15 16 16 17 17 18 19 20 20 20 21 22 22 23 23 24 24 25 26 27 27 27 28 28 28 11 24 27 8 11 29 6 9 10 21 7 11 10 12 9 13 14 15 16 30 17 31 18 32 19 33 19 34 18 35 36 37 21 22 23 38 25 39 26 40 25 26 41 42 28 43 44 45 46 47 2 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 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 35 36 37 38 39 40 41 42 43 44 45 46 47 6.3981 8.1301 4.666 4.666 7.2641 5.5321 6.3981 3.8 3.8 7.2641 5.5321 6.3981 2.9061 2.9061 8.1301 7.2641 2 2 8.1301 8.1301 8.1301 8.9962 7.2641 8.1301 8.9962 7.2641 8.9962 8.9962 4.666 5.8612 2.9132 2.9132 8.6671 7.2641 1.4643 1.4643 8.6671 8.6671 9.5331 6.7272 9.5331 6.7272 9.6067 9.2082 8.3762 8.9962 9.6162 1 -3 1 3 1.5 2.5 3 1.5 2.5 2.5 1.5 4 0.9653 3.0347 3 4.5 1.4792 2.5208 4 0 1 -0.5 -0.5 -2 -1.5 -1.5 -3.5 -4.5 0.38 4.31 0.3454 3.6546 2.69 5.12 1.1671 2.8329 4.31 1.31 -0.19 -0.19 -1.81 -1.81 -3.6077 -2.9174 -4.5 -5.12 -4.5 8 8 8 8 8 8 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 10 12 13 14 15 16 17 20 20 22 23 24 24 8 11 6 9 11 10 12 9 13 14 15 16 17 18 19 19 18 22 23 25 26 25 26 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 595 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0CE1980632C682C00400A80335735400820800212200088801267C980C66B2C4B59B963828E4D411C8E8079CC8808E20000000000200204000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[2-[(4-ethoxyphenyl)methyleneamino]phenyl]-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[2-[(4-ethoxyphenyl)methylideneamino]phenyl]-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[2-[(4-ethoxyphenyl)methylideneamino]phenyl]-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[2-[(4-ethoxyphenyl)methylideneamino]phenyl]-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[2-[(4-ethoxyphenyl)methylideneamino]phenyl]-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[2-[(4-ethoxybenzylidene)amino]phenyl]-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H19N3O2/c1-2-28-17-13-11-16(12-14-17)15-24-19-8-4-3-7-18(19)22-23(27)26-21-10-6-5-9-20(21)25-22/h3-15H,2H2,1H3,(H,26,27) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NNIBJPUZRCLQLK-UHFFFAOYSA-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 2021.05.07 369.147726857 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H19N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=C(C=C1)C=NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=C(C=C1)C=NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 63 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 369.147726857 28 0 0 0 0 0 0 0 1 -1