70413825 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 7 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 8 10 10 11 11 12 13 13 14 6 12 15 8 9 9 12 7 21 22 7 8 10 7 9 11 13 16 14 17 18 14 19 20 1 1 1 1 2 1 2 1 1 1 1 1 2 2 1 2 1 1 1 1 1 2 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 6.4783 4.666 6.4783 4.666 3.8 5.5321 4.666 3.8 5.5321 2.9061 2.9061 7.0619 2 2 6.6709 2.9132 2.9132 7.6819 1.4643 1.4643 4.1291 5.203 0.1671 -1.6377 -1.4424 1.3623 -0.1377 -0.1377 0.3623 -1.1377 -1.1377 0.397 -1.6723 -0.6377 -0.1169 -1.1585 0.7564 1.017 -2.2923 -0.6377 0.1952 -1.4706 1.6723 1.6723 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 3 5 5 5 6 6 8 10 11 13 6 12 8 9 9 12 7 8 10 7 9 11 13 14 14 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 220 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 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 00000371C07380000000000000000000000000000001600000003C4000000000000058B1FE00001C00100000000C08811F0435F0FEC99000A0032663640082802DB112A009D9A03874988868E2C0D9D1942408688002C8C8271080800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1H-imidazo[4,5-b]quinolin-9-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1H-imidazo[4,5-b]quinolin-9-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1<I>H</I>-imidazo[4,5-b]quinolin-9-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1H-imidazo[4,5-b]quinolin-9-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1H-imidazo[4,5-b]quinolin-9-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1H-imidazo[4,5-b]quinolin-9-ylamine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H8N4/c11-8-6-3-1-2-4-7(6)14-10-9(8)12-5-13-10/h1-5H,(H3,11,12,13,14) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RBJWFBAQGBIJKK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.074896272 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H8N4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C(=C3C(=N2)N=CN3)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C(=C3C(=N2)N=CN3)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 67.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 184.074896272 14 0 0 0 0 0 0 0 1 -1