70694711 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 48 49 50 8 7 7 7 7 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 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 9 9 10 11 11 12 12 12 13 14 14 14 15 15 16 16 17 17 17 18 18 18 19 19 20 21 21 22 23 23 24 24 25 26 26 26 20 26 8 10 17 7 12 27 8 13 24 46 47 7 8 11 9 10 15 16 13 19 14 28 29 21 18 30 31 20 32 22 33 34 35 36 24 37 38 23 39 22 25 40 41 25 42 43 44 45 48 49 50 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 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 48 49 50 9.0281 6.2962 5.3692 4.5124 6.7586 5.0091 5.6782 5.3181 6.6564 6.9654 4.015 6.0383 3.7086 5.7293 7.3413 7.9808 6.6053 6.3984 3.3334 8.3618 2.6994 8.6837 2.3191 6.0894 2 10.007 4.7627 6.5858 6.42 5.1819 5.3476 7.1429 8.1655 7.1949 6.7968 6.0156 6.9459 6.7801 3.5313 2.5152 9.2897 1.9056 5.542 5.7077 1.3942 6.567 7.365 10.1336 10.614 9.8805 0.2957 3.3117 0.4585 3.686 -3.6731 2.1527 1.4095 3.1037 1.6175 2.5685 2.1553 -0.2847 3.101 -1.2357 0.8327 2.8008 4.2627 -1.9789 1.3758 1.0414 3.3327 2.0321 1.5841 -2.9299 2.5692 0.4998 0.3296 -0.5757 0.2039 -0.9446 -1.7243 0.2453 3.3926 4.0711 4.8524 4.4543 -2.2699 -1.4903 0.7882 3.9247 2.1633 1.1221 -2.6388 -3.4185 2.7009 -4.2627 -3.5442 -0.1071 0.6264 1.1068 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 6 6 7 9 9 10 11 11 13 15 16 19 20 21 23 8 10 8 13 7 11 9 10 15 16 13 19 21 20 22 23 22 25 25 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 461 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA0000000000000000000000000000001600000003C6080000000000058B1D000001E00100000000C0CC19F0633F6FFCC1400A003266264008288292122A009D8A03E6C988C2EE2C4F9DB8434286CD013C8E827B0C0F00E80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-(2-methoxy-5-methyl-indolo[2,3-b]quinolin-11-yl)butane-1,4-diamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-(2-methoxy-5-methyl-11-indolo[2,3-b]quinolinyl)butane-1,4-diamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>&apos;-(2-methoxy-5-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-(2-methoxy-5-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-(2-methoxy-5-methyl-indolo[2,3-b]quinolin-11-yl)butane-1,4-diamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-aminobutyl-(2-methoxy-5-methyl-quinindolin-11-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H24N4O/c1-25-18-10-9-14(26-2)13-16(18)20(23-12-6-5-11-22)19-15-7-3-4-8-17(15)24-21(19)25/h3-4,7-10,13,23H,5-6,11-12,22H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UHDIFVJJENNBGX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.19501140 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H24N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=C(C=C(C=C2)OC)C(=C3C1=NC4=CC=CC=C43)NCCCCN SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=C(C=C(C=C2)OC)C(=C3C1=NC4=CC=CC=C43)NCCCCN Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 65.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.19501140 26 0 0 0 0 0 0 0 1 -1