51359072 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 9 8 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 2 2 3 3 3 4 4 5 5 6 7 7 7 8 9 9 10 10 11 11 12 12 13 14 15 15 16 16 17 17 18 18 19 19 20 21 21 22 23 23 24 24 25 26 22 14 25 5 6 11 6 8 7 8 9 12 27 28 14 10 15 13 16 13 29 17 18 30 21 19 31 20 32 22 33 23 34 20 35 36 24 37 26 26 38 25 39 40 41 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 2 2 1 2 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 2 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 5.5262 2.9511 6.0687 5.1224 5.1224 6.0687 4.8118 4.5388 6.9347 7.8007 6.9347 5.4796 7.8007 3.5388 6.9186 8.7107 5.169 6.4581 7.8167 8.7188 2.9511 5.8368 7.126 2 2 6.8153 4.2649 4.4292 6.9347 8.3377 6.3782 9.244 4.5623 6.6508 7.8143 9.2569 3.1426 7.7327 1.4984 1.4984 7.2294 -3.8571 0.4788 0.7878 2.0926 0.4831 1.7878 -0.4674 1.2878 2.2878 1.7878 0.2878 -1.2117 0.7878 1.2878 3.3293 2.2947 -2.1623 -1.0055 3.8571 3.3363 2.0968 -2.9066 -1.7498 1.7878 0.7878 -2.7003 -0.1754 -0.9553 -0.3322 0.4778 3.6331 1.9785 -2.2901 -0.4162 4.4771 3.6442 2.6865 -1.622 2.1522 0.4234 -3.1618 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 2 2 3 3 3 4 4 5 6 9 9 10 10 11 12 12 14 15 16 17 18 19 21 22 23 24 14 25 5 6 11 6 8 8 9 10 15 13 16 13 17 18 21 19 20 22 23 20 24 26 26 25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 489 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 00000371C07B21000000000000000000000000000001624000003C6080000000000058B1FC00001F00000000000C0CE19F0E3DB4DF0C1C40A803BE77E40482882D3732A009D821BE7CD88E6EFAC4BDBB9739A8EEC013D8E9E798D9F39E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(3-fluorophenyl)methyl]-2-(2-furyl)imidazo[2,1-a]isoquinoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(3-fluorophenyl)methyl]-2-(2-furanyl)imidazo[2,1-a]isoquinoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[2,1-a]isoquinoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-fluorobenzyl)-2-(2-furyl)imidaz[2,1-a]isoquinoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H15FN2O/c23-17-7-3-5-15(13-17)14-19-21(20-9-4-12-26-20)24-22-18-8-2-1-6-16(18)10-11-25(19)22/h1-13H,14H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QABSCKLJBHARTE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.11684127 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H15FN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=CN3C2=NC(=C3CC4=CC(=CC=C4)F)C5=CC=CO5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=CN3C2=NC(=C3CC4=CC(=CC=C4)F)C5=CC=CO5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 30.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 342.11684127 26 0 0 0 0 0 0 0 1 -1