70698651 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 9 8 7 7 7 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 2 2 3 3 3 4 4 5 5 6 6 7 8 9 9 10 11 11 11 12 13 13 14 14 15 15 16 16 16 17 17 18 18 19 19 21 21 22 22 24 24 24 20 23 24 6 9 12 8 10 7 12 7 8 11 13 10 14 15 16 25 26 27 17 18 19 28 20 29 30 31 32 21 33 22 34 20 35 23 36 23 37 38 39 40 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 2 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 7.7534 5.1014 4.2354 5.9674 2.7056 4.2354 3.2892 5.1014 5.1014 5.9674 2.9785 3.2892 5.1014 5.0854 6.8774 2 5.9674 4.2354 5.9834 6.8855 5.9674 4.2354 5.1014 5.9674 2.9991 3.5923 3.0966 4.5449 7.4108 1.8721 1.3933 2.1279 6.5044 3.6984 5.981 6.5044 3.6984 5.6574 6.5044 6.2774 4.0105 -3.5346 1.9654 0.9654 1.4654 0.9654 0.6606 0.4654 2.4654 1.9654 -0.2899 2.2701 -0.5346 3.5069 2.4722 -0.4961 -1.0346 -1.0346 4.0346 3.5138 -2.0346 -2.0346 -2.5346 -4.0346 -0.9095 -0.3772 2.8594 3.8106 2.156 0.1106 -0.624 -1.1028 -0.7246 -0.7246 4.6546 -2.3446 -2.3446 -4.5716 -4.3446 -3.4977 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 5 5 6 6 9 9 10 13 13 14 15 17 18 19 21 22 6 9 12 8 10 7 12 7 8 10 14 15 17 18 19 20 21 22 20 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 429 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B21000000000000000000000000000001600000003C6080000000000058B1F400001F00000000000C0C819E0E37D6B70C1C00A0032463640082882D3132A009D8203E7C988C6EE2C4F9DB9434286CC013C8E82790D0E30E20000000000000204000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-7-fluoro-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-7-fluoro-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-7-fluoro-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-7-fluoro-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-7-fluoranyl-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-7-fluoro-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H16FN3O/c1-3-15-19-18(12-4-7-14(24-2)8-5-12)22-16-10-13(20)6-9-17(16)23(19)11-21-15/h4-11H,3H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WUDGGNUNHKHXIO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.12774030 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H16FN3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=C2C(=NC3=C(N2C=N1)C=CC(=C3)F)C4=CC=C(C=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=C2C(=NC3=C(N2C=N1)C=CC(=C3)F)C4=CC=C(C=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 39.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.12774030 24 0 0 0 0 0 0 0 1 -1