70698658 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 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 6 6 7 8 10 10 10 11 12 12 13 13 14 14 14 15 15 16 9 5 6 11 8 9 20 7 11 7 9 8 12 10 13 14 17 18 19 15 21 16 22 23 24 25 16 26 27 2 1 1 1 1 1 1 1 2 2 1 1 2 1 2 1 1 1 1 1 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 5.1014 4.2354 5.9674 2.7056 4.2354 5.1014 3.2892 5.9674 5.1014 2.9785 3.2892 5.0854 6.8774 2 5.9834 6.8855 2.9991 3.5923 3.0966 6.5044 4.5449 7.4108 1.8721 1.3933 2.1279 5.981 7.4236 -2.2846 0.2154 -0.7846 -0.2846 -0.7846 0.7154 -1.0894 0.2154 -1.2846 -2.0399 0.5201 1.7569 0.7222 -2.2461 2.2846 1.7638 -2.6595 -2.1272 1.1094 -1.0946 2.0606 0.406 -1.6394 -2.374 -2.8528 2.9046 2.0717 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 4 5 5 6 6 8 12 13 15 5 6 11 8 9 7 11 7 9 8 12 13 15 16 16 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 294 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 1 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371C07320000000000000000000000000000001600000003C4000000000000058B1C000001E0010000000080881960437D097CC1000A8012573740082802D3712A009D801B874C888687AC0D9B1942188689402C8C9671800000000000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 3-ethyl-5H-imidazo[1,5-a]quinoxalin-4-one IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 3-ethyl-5H-imidazo[1,5-a]quinoxalin-4-one IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 3-ethyl-5H-imidazo[1,5-a]quinoxalin-4-one IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 3-ethyl-5H-imidazo[1,5-a]quinoxalin-4-one IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 3-ethyl-5H-imidazo[1,5-a]quinoxalin-4-one InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C12H11N3O/c1-2-8-11-12(16)14-9-5-3-4-6-10(9)15(11)7-13-8/h3-7H,2H2,1H3,(H,14,16) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 RTVCYOHWBCFBQP-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 213.090212 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C12H11N3O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 213.23524 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 CCC1=C2C(=O)NC3=CC=CC=C3N2C=N1 SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 CCC1=C2C(=O)NC3=CC=CC=C3N2C=N1 Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 46.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 213.090212 16 0 0 0 0 0 0 0 1 2