70698656 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 44 35 9 8 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 6 6 7 7 8 8 9 10 11 12 13 13 14 14 15 15 16 16 17 18 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 29 29 29 28 19 17 29 7 8 12 9 11 10 12 9 10 11 15 13 14 16 30 19 20 21 22 18 31 17 32 18 33 23 24 34 25 35 26 36 27 37 27 38 28 39 28 40 41 42 43 44 1 1 1 1 1 1 1 2 1 1 2 1 2 2 1 1 1 1 1 1 2 2 1 2 1 2 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 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 41 42 43 44 2 8.7894 9.4414 5.9234 7.6554 4.3936 5.9234 6.7894 6.7894 4.9772 7.6554 4.9772 7.2895 4.2329 6.7734 8.5654 8.5735 7.6714 8.2894 6.7894 4.4391 3.2823 8.7894 7.2895 3.6948 2.538 8.2895 2.7443 9.4453 4.7846 6.2329 9.0988 7.669 6.1694 5.0284 3.1545 9.4094 6.9795 3.8226 1.9487 8.5995 10.0653 9.4476 8.8253 -3.4497 -0.9735 2.5716 0.5265 -0.4735 0.0265 -0.4735 1.0265 -0.9735 -0.7782 0.5265 0.8312 -1.8395 -1.4461 2.068 1.0333 2.0749 2.5957 -1.8395 -2.7056 -2.4246 -1.1354 -2.7056 -3.5716 -3.0924 -1.8033 -3.5715 -2.7818 3.5716 1.4205 2.3718 0.7171 3.2157 -2.7056 -2.6172 -0.5287 -2.7056 -4.1085 -3.6991 -1.6107 -4.1085 3.5692 4.1916 3.574 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 4 4 4 5 5 6 6 7 7 8 8 11 13 13 14 14 15 16 17 19 20 21 22 23 24 25 26 7 8 12 9 11 10 12 9 10 11 15 16 19 20 21 22 18 17 18 23 24 25 26 27 27 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 560 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 00000371C07B21000010000000000000000000000001600000003C60C1000000000058B1F400001F0040000001AC0C819E0E37D6B70C1C00A0032463640082882D3132A409D8203E7CB88C6EE2C4F9DB9434286EC01BC8EA37B0D0C30E02400002000000200480000400000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-bromophenyl)-4-(2-fluorophenyl)-7-methoxy-imidazo[1,5-a]quinoxaline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-bromophenyl)-4-(2-fluorophenyl)-7-methoxyimidazo[1,5-a]quinoxaline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-bromophenyl)-4-(2-fluorophenyl)-7-methoxyimidazo[1,5-a]quinoxaline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-bromophenyl)-4-(2-fluorophenyl)-7-methoxyimidazo[1,5-a]quinoxaline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-bromophenyl)-4-(2-fluorophenyl)-7-methoxy-imidazo[1,5-a]quinoxaline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-bromophenyl)-4-(2-fluorophenyl)-7-methoxy-imidazo[1,5-a]quinoxaline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H15BrFN3O/c1-29-16-10-11-20-19(12-16)27-22(17-4-2-3-5-18(17)25)23-21(26-13-28(20)23)14-6-8-15(24)9-7-14/h2-13H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CPPNUTZUTBXZEB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 6.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 447.03825 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H15BrFN3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 448.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)N3C=NC(=C3C(=N2)C4=CC=CC=C4F)C5=CC=C(C=C5)Br SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)N3C=NC(=C3C(=N2)C4=CC=CC=C4F)C5=CC=C(C=C5)Br 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 2021.05.07 447.03825 29 0 0 0 0 0 0 0 1 -1