3213217 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 47 16 8 8 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 1 1 1 1 1 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 8 9 9 9 12 12 13 13 14 15 16 16 17 17 18 18 19 20 20 20 21 21 22 22 22 23 23 24 24 25 26 26 26 10 11 15 25 24 26 7 9 11 10 14 11 20 8 27 28 10 12 15 29 30 13 31 14 17 16 21 18 22 19 32 19 33 34 24 35 36 23 37 38 39 40 25 43 41 42 44 45 46 47 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 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 45 46 47 6.426 8.999 9.0525 7.3321 4.666 8.1962 6.426 5.5321 8.1962 5.5321 7.3321 4.666 3.8 3.8 8.1923 2.9061 2.9061 2 2 8.1923 7.381 2.9176 7.6864 9.0564 8.6864 9.9166 6.0214 6.8196 8.8063 8.4105 4.666 2.9132 1.4643 1.4643 7.978 7.5821 6.7921 3.5376 2.9248 2.2977 9.2707 9.6666 7.32 9.0489 10.2287 10.4524 9.6046 0.8017 -2.848 3.2945 -0.7538 0.767 0.7912 -1.2676 -0.733 -1.2571 0.267 0.2879 -1.233 -0.733 0.267 -2.2571 0.8017 -1.2676 0.2879 -0.7538 1.7912 -2.8418 1.8016 -3.794 2.2945 -3.7978 3.7978 -1.7374 -1.7466 -1.3671 -0.6753 -1.853 -1.8876 0.5999 -1.0658 2.373 1.6812 -2.6479 1.7945 2.4216 1.8088 1.7127 2.4045 -4.2942 -4.3008 3.2621 4.1099 4.3336 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 5 5 8 8 12 13 13 14 15 16 17 18 21 23 15 25 10 14 10 12 13 14 17 16 21 18 19 19 23 25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 503 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30004000000000000000000000000001200000003C5880000000000000B1FC00001E04000000000C0CE1DE0633C5F3081448A803AC72E40082D821652830099831AE4CD80E26F2E4FDBB873928E4C011D8E9879891C20E00000200000200000000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-furylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-furanylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(furan-2-ylmethyl)-<I>N</I>-(2-methoxyethyl)-9-methyl-4<I>H</I>-[1,3]thiazino[6,5-b]quinolin-2-imine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [3-(2-furfuryl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-ylidene]-(2-methoxyethyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H21N3O2S/c1-14-5-3-6-15-11-16-12-23(13-17-7-4-9-25-17)20(21-8-10-24-2)26-19(16)22-18(14)15/h3-7,9,11H,8,10,12-13H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FIUFLAMLZBCURL-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 2021.05.07 367.13544809 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H21N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C2C(=CC=C1)C=C3CN(C(=NCCOC)SC3=N2)CC4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C2C(=CC=C1)C=C3CN(C(=NCCOC)SC3=N2)CC4=CC=CO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 76.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.13544809 26 0 0 0 0 0 0 0 1 -1