66553420 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 8 8 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 3 4 4 5 5 5 6 7 7 8 9 9 10 11 12 12 13 13 14 16 16 16 17 17 18 18 19 19 20 21 21 21 22 22 22 14 21 15 22 8 10 16 6 11 6 9 10 7 8 12 13 11 17 23 18 14 24 15 25 15 26 27 28 19 29 20 30 20 31 32 33 34 35 36 37 38 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 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 7.9253 9.2959 6.6564 4.5124 5.0091 5.3181 6.2962 6.9654 4.015 5.6782 3.7086 6.6028 7.9875 7.62 8.317 7.3255 3.3334 2.6994 2.3191 2 7.2533 9.9622 5.4866 6.1826 8.397 7.7862 7.7403 6.8647 3.5313 2.5152 1.9056 1.3942 6.7942 6.8367 7.7125 10.4245 10.3752 9.4998 -1.9345 -0.4123 1.9319 -0.1366 1.3966 0.4456 0.2377 0.9808 1.3941 2.1398 0.4484 -0.7578 0.78 -0.9822 -0.2081 2.675 2.1736 0.2166 1.9652 0.9802 -2.675 0.3334 2.7294 -1.2137 1.2455 2.2602 3.1358 3.0899 2.7611 -0.3754 2.4272 0.8484 -2.2584 -3.1342 -3.0917 -0.0796 0.7958 0.7465 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 6 7 7 8 9 9 11 12 13 14 17 18 19 8 10 6 11 9 10 7 8 12 13 11 17 18 14 15 15 19 20 20 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 405 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001600000003C6080000000000058B1D000001E00000000000C0CC19E063EC6F30C1400A0033467440082882031222008D8203EEC980D26E2C4F1DB84342A66C019CAE807B0D0F30EA0400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dimethoxy-5-methyl-indolo[3,2-c]quinoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dimethoxy-5-methylindolo[3,2-c]quinoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dimethoxy-5-methylindolo[3,2-c]quinoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dimethoxy-5-methylindolo[3,2-c]quinoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dimethoxy-5-methyl-indolo[3,2-c]quinoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-dimethoxy-5-methyl-indolo[3,2-c]quinoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H16N2O2/c1-20-10-13-11-6-4-5-7-14(11)19-18(13)12-8-16(21-2)17(22-3)9-15(12)20/h4-10H,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FGMZQDAXJHRZOT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.121177757 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H16N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=C2C3=CC=CC=C3N=C2C4=CC(=C(C=C41)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=C2C3=CC=CC=C3N=C2C4=CC(=C(C=C41)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 36.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 292.121177757 22 0 0 0 0 0 0 0 1 -1