4012008 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 8 7 7 7 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 2 3 3 4 4 4 5 5 6 6 8 8 8 9 9 10 11 12 12 13 13 14 14 15 15 15 16 16 17 17 18 19 19 19 20 20 21 22 22 22 7 5 7 8 6 10 11 19 31 10 12 7 9 15 23 24 11 14 13 16 17 25 18 26 20 27 28 29 30 21 32 18 33 34 22 35 36 21 37 38 39 40 41 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 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 34 35 36 37 38 39 40 41 6.3981 4.666 4.666 5.5321 3.8 5.5321 5.5321 4.666 6.3981 3.8 6.3981 2.9061 2.9061 7.2641 3.8 7.2641 2 2 5.5321 8.1301 8.1301 4.666 4.8781 5.2766 2.9132 2.9132 7.2641 3.49 3.2631 4.11 4.9951 7.2641 1.4643 1.4643 6.1426 5.7441 8.6671 8.6671 4.976 4.1291 4.356 -1.75 -1.75 0.25 1.75 -1.25 -0.25 -1.25 -2.75 0.25 -0.25 1.25 -1.7847 0.2847 -0.25 -3.25 1.75 -1.2708 -0.2292 2.75 0.25 1.25 3.25 -3.3326 -2.6423 -2.4046 0.9046 -0.87 -2.7131 -3.56 -3.7869 1.44 2.37 -1.5829 0.0829 2.6423 3.3326 -0.06 1.56 3.7869 3.56 2.7131 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 6 9 9 10 11 12 13 14 16 17 20 5 7 6 10 10 12 7 11 14 13 16 17 18 20 21 18 21 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 434 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B2000000000000000000000000000000000000000306080000000000000814000001E00100000000C08C1980432C083C00000A803257254008200002102000888812874980860B2C09591942008609600C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-3-[2-(ethylamino)phenyl]quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-3-[2-(ethylamino)phenyl]-2-quinoxalinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-3-[2-(ethylamino)phenyl]quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-3-[2-(ethylamino)phenyl]quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-3-[2-(ethylamino)phenyl]quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-3-[2-(ethylamino)phenyl]quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H19N3O/c1-3-19-14-10-6-5-9-13(14)17-18(22)21(4-2)16-12-8-7-11-15(16)20-17/h5-12,19H,3-4H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IKZNARDHHSLNRA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.152812238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H19N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC1=CC=CC=C1C2=NC3=CC=CC=C3N(C2=O)CC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC1=CC=CC=C1C2=NC3=CC=CC=C3N(C2=O)CC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 44.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.152812238 22 0 0 0 0 0 0 0 1 -1