3083577 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 7 7 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 2 2 2 3 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 10 11 11 12 13 13 14 15 15 16 4 11 25 12 14 30 4 5 7 17 6 18 8 19 20 10 21 22 9 13 11 23 24 10 12 14 26 27 15 16 28 29 16 31 32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 3 4 5 7 17 3 1 4 1 3 6 18 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 3.8001 4.7881 2.918 3.7841 2.008 4.6501 2.918 2 3.7841 4.6501 2.9021 3.8001 2.008 5.268 2.9021 2 2.3835 4.3234 1.3964 1.8035 5.2607 4.8621 1.7864 1.39 4.3406 3.303 2.5048 1.4747 5.8858 5.0741 2.9045 1.4619 2.1062 -2.0839 0.5647 1.0647 1.0716 0.5647 -0.4353 2.1132 -0.9353 -0.4353 2.634 -1.9768 -0.9421 -1.2136 -2.5045 -1.9837 0.2506 1.3706 1.173 0.4863 0.4571 1.1474 2.6952 2.0024 2.41 3.1069 3.11 -0.6259 -1.1619 -2.634 -3.1245 -2.2916 8 8 3 3 8 8 8 8 8 8 8 8 2 2 3 4 7 7 9 9 10 12 13 15 12 14 5 6 9 13 10 12 14 15 16 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 278 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07300000000000000000000000000000001600000003C6080000000000058F1F000001C00100000000D28C11E043CC0F2C99000A0033467440082802031022008D9A03864980820E2C09191842008609000C8C8071080C00E80000040001200009000048000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,6,6<I>a</I>,7,8,9,10,10<I>a</I>-octahydroindolo[4,3-fg]quinoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H16N2/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11/h1,3,5,8,10,13,15-16H,2,4,6-7H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RHGUXDUPXYFCTE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 212.131348519 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H16N2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 212.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2C(CC3=CNC4=CC=CC2=C34)NC1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2C(CC3=CNC4=CC=CC2=C34)NC1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 27.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 212.131348519 16 2 0 2 0 0 0 0 1 -1