11359 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 5 6 6 7 7 8 8 9 10 10 11 4 11 5 18 19 4 6 7 5 8 9 12 10 13 9 14 15 11 16 17 1 2 1 1 1 2 1 1 1 2 2 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 4.626 2.866 3.732 3.732 2.866 2.866 4.626 2 2 5.5321 5.5321 2.866 4.6188 1.4631 1.4631 6.0678 6.0678 2.3291 3.403 -0.397 -1.3623 1.1377 0.1377 -0.3623 1.6377 1.6723 0.1377 1.1377 1.1585 0.1169 2.2577 2.2923 -0.1723 1.4477 1.4706 -0.1952 -1.6723 -1.6723 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 3 4 5 6 7 8 10 4 11 4 6 7 5 8 9 10 9 11 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 136 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07300000000000000000000000000000000000000003C4000000000000000B1F000001C00100000000C08C11E043CC0F2481000A0033467440082802031122008D8203874980860E2C09191942008609000C8C8071080800E00000040000200200000008000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 quinolin-8-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 8-quinolinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 quinolin-8-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 quinolin-8-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 quinolin-8-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 8-quinolylamine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WREVVZMUNPAPOV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 144.068748264 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H8N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 144.17 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C(=C1)N)N=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=C(C(=C1)N)N=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 144.068748264 11 0 0 0 0 0 0 0 1 -1