73416 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 45 46 8 8 8 8 8 8 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 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 8 9 9 10 10 11 11 11 12 12 12 13 13 14 14 14 15 17 18 18 19 19 20 22 22 23 24 24 24 25 25 25 10 13 8 35 9 36 16 24 21 23 17 25 15 21 9 11 12 10 26 27 28 29 30 31 32 33 34 16 19 15 17 20 16 18 21 22 20 37 38 23 39 40 41 42 43 44 45 46 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 9 3 8 10 26 3 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 45 46 6.0037 2.5357 4.2755 7.7854 11.346 9.5338 9.5338 3.4037 4.2716 5.1357 2.907 3.9003 6.8678 8.6678 8.6678 7.7738 9.5338 10.3998 6.8678 7.7738 10.3998 11.346 11.9296 6.9252 10.3998 4.8098 5.5324 4.7354 2.3689 2.5991 3.4452 4.4385 4.2083 3.3622 2 3.7398 6.332 7.781 11.5386 12.5496 6.609 6.3919 7.2414 10.7098 10.9368 10.0898 -1.0019 -0.0152 -2.0085 -2.0123 -0.7824 2.0223 -0.9777 -0.5119 -1.0085 -0.5052 -1.3798 0.3561 -0.4985 0.5223 -0.4777 -1.0124 1.0223 0.5223 0.5431 1.057 -0.4777 0.827 0.0223 -2.5223 2.5223 -1.3165 -0.0287 -0.0318 -1.0719 -1.918 -1.6878 0.0481 0.8942 0.664 -0.3273 -2.3206 0.8552 1.6769 1.4163 0.0223 -1.989 -2.8385 -3.0556 1.9854 2.8323 3.0592 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 9 13 13 14 14 14 15 17 18 18 19 22 21 23 15 21 3 16 19 15 17 20 16 18 21 22 20 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 447 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A38000000000000000000000000000001200000003C4000000000000058B1FE00001E00000800000C5CA19E0232C6F2081640A8032D72D4048288202D602008982127CCD80F37F6C4B49B8F796AE7E41DDBE987FEF9FF9E2000010200025000400002040004A000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methyl-butane-2,3-diol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-methylbutane-2,3-diol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methyl-butane-2,3-diol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methyl-butane-2,3-diol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H21NO6/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3/h5-8,13,20-21H,9H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FGANMDNHTVJAHL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 347.13688739 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H21NO6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 347.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)(C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)(C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 94.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 347.13688739 25 1 0 1 0 0 0 0 1 -1