56695056 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 6 6 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 7 7 7 8 9 9 9 10 10 11 12 13 14 14 15 15 16 16 16 17 17 18 19 19 20 20 21 22 22 23 23 24 11 5 9 11 6 12 18 40 41 6 8 13 8 10 15 27 16 25 26 13 17 12 14 28 18 20 19 29 30 31 32 21 33 22 21 35 23 34 36 24 37 24 38 39 2 1 1 1 1 2 1 1 1 1 2 2 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 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 8.1962 6.426 6.426 7.3244 5.5321 5.5321 3.8 4.666 6.4144 3.8 7.3321 7.3321 4.666 8.1962 2.9061 7.2746 2.9061 8.1923 2 9.0641 2 9.0564 9.9282 9.9243 6.1957 5.8051 4.666 4.666 2.9132 7.5908 7.8079 6.9584 2.9132 9.0665 1.4643 1.4643 9.054 10.4663 10.4601 7.322 6.7886 1.3223 1.3328 -0.7366 -2.2227 0.7981 -0.2019 0.7981 1.2981 2.3327 -0.2019 0.8189 -0.2227 -0.7019 -0.726 1.3328 2.8427 -0.7366 -1.726 0.8189 -0.2294 -0.2227 -2.2294 -0.7327 -1.7327 2.9128 2.218 1.9181 -1.3219 1.9527 2.3094 3.1589 3.376 -1.3565 0.3906 1.131 -0.5348 -2.8494 -0.4248 -2.0448 -2.8427 -1.9106 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 6 7 7 7 10 10 11 14 14 15 17 18 19 20 22 23 5 11 6 12 6 8 13 8 10 15 13 17 12 18 20 19 21 22 21 23 24 24 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 517 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003060C1000000000000C15400001E00100000000C08C1980432C0C3400000A803257254008200002102000888012874980860B2C09591942008609600C8C8071C88808E88000040001200201000008000240040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-aminophenyl)-4-ethyl-benzo[g]quinoxalin-3-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-aminophenyl)-4-ethyl-3-benzo[g]quinoxalinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-aminophenyl)-4-ethylbenzo[g]quinoxalin-3-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-aminophenyl)-4-ethylbenzo[g]quinoxalin-3-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-aminophenyl)-4-ethyl-benzo[g]quinoxalin-3-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(2-aminophenyl)-4-ethyl-benzo[g]quinoxalin-3-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H17N3O/c1-2-23-18-12-14-8-4-3-7-13(14)11-17(18)22-19(20(23)24)15-9-5-6-10-16(15)21/h3-12H,2,21H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PMFMGGFHASDDNI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.137162174 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H17N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C2=CC3=CC=CC=C3C=C2N=C(C1=O)C4=CC=CC=C4N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C2=CC3=CC=CC=C3C=C2N=C(C1=O)C4=CC=CC=C4N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 58.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.137162174 24 0 0 0 0 0 0 0 1 -1