70098838 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 7 7 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 6 6 6 8 8 9 10 10 10 11 11 12 13 13 14 15 16 16 17 18 18 19 20 20 21 22 22 23 23 24 24 25 7 9 30 7 8 14 18 12 21 17 19 7 10 26 27 9 11 13 14 28 29 12 16 15 15 31 17 32 20 33 34 19 22 23 21 35 36 24 37 25 38 25 39 40 1 1 1 2 1 2 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 2 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 28 29 30 31 32 33 34 35 36 37 38 39 40 8.6529 8.6529 5.0693 12.2411 4.0693 7.0693 8.0693 9.5991 9.5991 6.5693 10.4651 11.3311 10.4651 5.5693 11.3311 10.4491 5.0693 4.0693 3.5693 11.3471 12.2492 3.5624 2.5278 2.5208 2 6.4866 7.1769 7.1519 6.4616 8.4603 10.4651 11.8681 9.9086 5.3793 11.3447 12.7873 3.8786 2.224 2.2129 1.38 -1.4328 0.1767 1.104 0.3788 -0.628 -0.628 -0.628 -0.128 -1.128 0.238 0.372 -0.128 -1.628 0.238 -1.128 1.4135 -0.628 1.104 0.238 1.9412 1.4204 2.014 0.222 2.0221 1.12 -0.8401 -1.2386 0.4501 0.8486 -2.0221 -2.248 -1.438 1.7173 -1.165 2.5612 1.7284 2.5473 -0.3185 2.5602 1.1176 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 2 2 3 3 4 4 5 5 8 8 9 11 11 12 13 14 16 18 18 19 20 22 23 24 7 9 7 8 14 18 12 21 17 19 9 11 13 12 16 15 15 17 20 19 22 23 21 24 25 25 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 457 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 1 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 00000371C07B80000000000000000000000000000001600000003C7881000000000058B1FE00001C00100000000C08C11F043DD0F6C99000A0033667640082802DB112A009D9203874988868E2C0D9D1942408689002C8C8271080800E00008040040200200001008008040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-quinoxalin-2-ylethyl)-3H-imidazo[4,5-f]quinoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2-(2-quinoxalinyl)ethyl]-3H-imidazo[4,5-f]quinoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-quinoxalin-2-ylethyl)-3<I>H</I>-imidazo[4,5-f]quinoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-quinoxalin-2-ylethyl)-3H-imidazo[4,5-f]quinoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-quinoxalin-2-ylethyl)-3H-imidazo[4,5-f]quinoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-quinoxalin-2-ylethyl)-3H-imidazo[4,5-f]quinoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H15N5/c1-2-6-17-16(5-1)22-12-13(23-17)7-10-19-24-18-9-8-15-14(20(18)25-19)4-3-11-21-15/h1-6,8-9,11-12H,7,10H2,(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QMRNTMSXXCMLJF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.13274550 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H15N5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)N=CC(=N2)CCC3=NC4=C(N3)C=CC5=C4C=CC=N5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)N=CC(=N2)CCC3=NC4=C(N3)C=CC5=C4C=CC=N5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 67.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.13274550 25 0 0 0 0 0 0 0 1 -1