70698649 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 7 7 6 6 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 3 3 4 4 5 5 6 7 8 9 10 10 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 25 4 5 9 6 8 7 9 6 7 8 12 10 11 13 26 16 17 18 19 14 27 15 28 15 29 30 20 31 21 32 22 33 23 34 24 35 24 36 25 37 25 38 39 40 1 1 1 2 1 1 2 1 2 1 2 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 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 5.3853 7.1174 3.8555 5.3853 6.2514 6.2514 4.4391 7.1174 4.4391 6.7514 3.6949 6.2353 8.0274 7.1333 8.0354 6.2514 7.7514 3.901 2.7443 6.7514 8.2514 3.1567 2 7.7514 2.2062 4.2465 5.6948 8.5607 7.131 8.5735 5.6314 8.0614 4.4904 2.6164 6.4414 8.8714 3.2846 1.4107 8.0615 1.7448 1.0144 0.0144 0.5144 0.0144 1.5144 -0.4856 -0.2903 1.0144 1.3191 -1.3516 -0.9582 2.5559 1.5212 3.0837 2.5628 -2.2176 -1.3516 -1.9367 -0.6475 -3.0837 -2.2176 -2.6045 -1.3154 -3.0836 -2.2939 1.9085 2.8597 1.2051 3.7037 2.8708 -2.2176 -0.8147 -2.1293 -0.0408 -3.6206 -2.2176 -3.2112 -1.1228 -3.6206 -2.708 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 1 2 2 3 3 4 4 5 5 8 10 10 11 11 12 13 14 16 17 18 19 20 21 22 23 4 5 9 6 8 7 9 6 7 8 12 13 16 17 18 19 14 15 15 20 21 22 23 24 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 441 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B00000000000000000000000000000001600000003C60C1000000000058B1F400001C00000000000C08811E0435D0B70C1800A0032463640082802D3112A009D8203874988868E2C0D9D1942408688002C8C8271080C00E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-diphenylimidazo[1,5-a]quinoxaline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-diphenylimidazo[1,5-a]quinoxaline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-diphenylimidazo[1,5-a]quinoxaline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-diphenylimidazo[1,5-a]quinoxaline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-diphenylimidazo[1,5-a]quinoxaline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,4-diphenylimidazo[1,5-a]quinoxaline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H15N3/c1-3-9-16(10-4-1)20-22-21(17-11-5-2-6-12-17)24-18-13-7-8-14-19(18)25(22)15-23-20/h1-15H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DPUUVJVXNAMWQR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.126597491 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H15N3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C2=C3C(=NC4=CC=CC=C4N3C=N2)C5=CC=CC=C5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C2=C3C(=NC4=CC=CC=C4N3C=N2)C5=CC=CC=C5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 30.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.126597491 25 0 0 0 0 0 0 0 1 -1