388029 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 7 7 7 7 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 2 2 3 3 3 4 4 4 5 5 6 7 7 8 9 9 9 10 11 12 12 13 13 14 15 16 16 17 17 18 19 6 8 20 5 11 14 28 29 18 30 31 6 7 10 8 12 13 10 11 16 21 17 15 22 14 23 15 24 19 25 18 26 19 27 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 2 1 2 1 1 1 2 1 2 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 5.9065 7.0724 2.417 10.4223 6.4033 6.7123 5.4092 5.1028 8.3596 7.6904 8.0505 4.7276 4.0936 3.3942 3.7133 9.375 8.7355 9.756 10.0779 5.9055 7.882 4.9255 3.9094 3.2998 9.5597 8.5371 10.6838 2 2.2282 11.0292 10.2284 1.6796 -0.5968 0.7753 -1.7107 0.1463 1.0974 0.1489 1.0946 0.5621 1.3053 -0.3889 -0.6306 1.3263 0.5628 -0.4223 0.7944 -1.1737 -0.965 0.0257 2.2996 1.8949 -1.2182 1.9183 -0.8842 1.3862 -1.7611 0.1569 0.3165 1.3659 -1.5841 -2.2996 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 5 5 6 7 7 8 9 9 9 11 12 13 14 16 17 18 6 8 5 11 6 7 10 8 12 13 10 11 16 17 15 14 15 19 18 19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 347 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 3 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 00000371C07380000000000000000000000000000001600000003C6080000000000058B1FE00001C00100000000C08811E0030C0F2C99000A003246244008280242112200899203074980860E2C0D1D1942408609000C8C8071080C00E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10H-indolo[3,2-b]quinoline-3,8-diamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10H-indolo[3,2-b]quinoline-3,8-diamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10<I>H</I>-indolo[3,2-b]quinoline-3,8-diamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10H-indolo[3,2-b]quinoline-3,8-diamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 10H-indolo[3,2-b]quinoline-3,8-diamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3-amino-10H-quindolin-8-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H12N4/c16-9-2-1-8-5-14-15(19-12(8)6-9)11-4-3-10(17)7-13(11)18-14/h1-7,18H,16-17H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VXJCEYHNPBHQOS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 248.106196400 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H12N4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 248.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC2=NC3=C(C=C21)NC4=C3C=CC(=C4)N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CC2=NC3=C(C=C21)NC4=C3C=CC(=C4)N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 80.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 248.106196400 19 0 0 0 0 0 0 0 1 -1