24071300 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 8 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 1 1 1 2 2 2 3 3 4 4 5 6 6 7 7 7 8 8 8 9 9 10 11 12 12 14 14 14 15 15 15 16 16 17 17 17 18 18 19 19 20 20 21 21 22 22 23 13 4 13 28 5 6 5 10 11 7 13 12 24 25 9 10 14 11 15 26 27 16 17 29 30 31 32 33 34 18 35 36 37 38 19 20 21 39 22 40 23 41 23 42 43 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 12 7 17 16 18 35 3 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 7.2622 5.5301 5.5301 4.6641 4.6641 6.3961 7.2622 2.8641 2.8641 3.7702 3.7702 7.2622 6.3961 2 2 8.1282 6.3961 8.1282 8.9942 7.2622 8.9942 7.2622 8.1282 7.4742 7.8728 3.7773 3.7773 5.5301 1.6879 1.4643 2.3121 2.3121 1.4643 1.6879 8.6651 6.7062 5.8592 6.0862 9.5312 6.7252 9.5312 6.7252 8.1282 -2.94 -2.94 -0.94 -2.44 -1.44 -1.44 -0.94 -2.4608 -1.4192 -2.9747 -0.9053 0.06 -2.44 -2.9642 -0.9158 0.56 0.56 1.56 2.06 2.06 3.06 3.06 3.56 -1.5226 -0.8323 -3.5946 -0.2854 -3.56 -2.4284 -3.2762 -3.4999 -0.3801 -0.6038 -1.4516 0.25 1.0969 0.87 0.0231 1.75 1.75 3.37 3.37 4.18 8 8 8 8 8 8 8 8 8 8 8 1 8 8 8 8 8 8 2 2 3 3 4 4 5 6 8 8 9 12 18 18 19 20 21 22 4 13 5 6 5 10 11 13 9 10 11 16 19 20 21 22 23 23 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 502 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 00000371E07B2000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A80325725400820000210200088801307488086032C09191942008609400C8C8071880800E88000040001000201000008000200040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethyl-3-(2-methyl-3-phenyl-allyl)-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethyl-3-(2-methyl-3-phenylprop-2-enyl)-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethyl-3-(2-methyl-3-phenylprop-2-enyl)-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethyl-3-(2-methyl-3-phenylprop-2-enyl)-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethyl-3-(2-methyl-3-phenyl-prop-2-enyl)-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethyl-3-(2-methyl-3-phenyl-allyl)-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H20N2O/c1-13(9-16-7-5-4-6-8-16)10-19-20(23)22-18-12-15(3)14(2)11-17(18)21-19/h4-9,11-12H,10H2,1-3H3,(H,22,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PWLDTOQOLQMKIA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.157563266 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H20N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1C)N=C(C(=O)N2)CC(=CC3=CC=CC=C3)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1C)N=C(C(=O)N2)CC(=CC3=CC=CC=C3)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.157563266 23 0 0 0 1 0 1 0 1 -1