70698650 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 7 7 7 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 6 6 7 8 9 9 9 10 11 11 12 12 13 13 14 14 14 15 15 16 16 17 17 18 19 19 20 20 21 4 6 10 7 8 5 10 5 7 9 8 12 11 13 14 22 23 24 16 17 15 25 18 26 27 28 29 18 30 19 31 20 32 33 21 34 21 35 36 1 1 1 2 1 1 2 2 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 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 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 5.9834 4.2354 5.9674 6.8855 4.2354 5.9674 5.1014 2.9991 3.5923 3.0966 4.5449 7.4108 1.8721 1.3933 2.1279 5.981 3.6984 6.5044 7.4236 3.6984 6.5044 5.1014 1.2154 0.2154 0.7154 0.2154 -0.0894 1.7154 -0.2846 1.2154 -1.0399 1.5201 -1.2846 2.7569 1.7222 -1.2461 3.2846 -1.7846 -1.7846 2.7638 -2.7846 -2.7846 -3.2846 -1.6595 -1.1272 2.1094 3.0606 1.406 -0.6394 -1.374 -1.8528 3.9046 -1.4746 -1.4746 3.0717 -3.0946 -3.0946 -3.9046 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 6 6 8 11 11 12 13 15 16 17 19 20 4 6 10 7 8 5 10 5 7 8 12 13 16 17 15 18 18 19 20 21 21 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 352 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 00000371C07B00000000000000000000000000000001600000003C6080000000000058B1F400001C00000000000C08811E0437D0B70C1800A0032463640082802D3112A009D8203874988868E2C0D9D1942408688002C8C8271080C00E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-4-phenyl-imidazo[1,5-a]quinoxaline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-4-phenylimidazo[1,5-a]quinoxaline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-4-phenylimidazo[1,5-a]quinoxaline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-4-phenylimidazo[1,5-a]quinoxaline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-4-phenyl-imidazo[1,5-a]quinoxaline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-ethyl-4-phenyl-imidazo[1,5-a]quinoxaline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H15N3/c1-2-14-18-17(13-8-4-3-5-9-13)20-15-10-6-7-11-16(15)21(18)12-19-14/h3-12H,2H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HTPYNMBXWRVBHY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 273.126597491 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H15N3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 273.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=C2C(=NC3=CC=CC=C3N2C=N1)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC1=C2C(=NC3=CC=CC=C3N2C=N1)C4=CC=CC=C4 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 2021.05.07 273.126597491 21 0 0 0 0 0 0 0 1 -1