70597320 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 8 7 7 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 2 2 2 3 3 3 4 4 5 5 6 6 6 7 7 8 9 10 11 11 12 13 13 13 14 14 14 15 15 15 9 31 4 6 13 8 14 15 5 7 9 11 10 16 17 8 18 12 10 19 12 20 21 22 23 24 25 26 27 28 29 30 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 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 6.3465 6.358 2.866 5.4641 5.4641 7.2641 4.5981 3.732 6.358 7.2641 4.5981 3.732 6.3465 2 2.866 7.4732 7.875 4.5981 7.7998 4.5981 3.1951 5.7265 6.3393 6.9664 2.31 1.4631 1.69 2.246 2.866 3.486 6.8798 1.8765 -1.1928 -1.1581 -0.6581 0.3419 -0.6789 -1.1581 -0.6581 0.8766 0.3627 0.8419 0.3419 -2.1927 -0.6581 -2.1581 -1.2626 -0.5728 -1.7781 0.6748 1.4619 0.6519 -2.1855 -2.8126 -2.1999 -0.1212 -0.3481 -1.195 -2.1581 -2.7781 -2.1581 2.1927 8 8 8 8 8 8 4 4 5 7 8 11 5 7 11 8 12 12 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 262 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0732000000000000000000000000000000000000000304000000000000000810000001E00000800000C0CC1980432C083000200800224424000820000212200088800086C88082622C0D1D184700866C001C8D80790D0230E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-1-methyl-2H-quinolin-4-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-1-methyl-2H-quinolin-4-ol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-1-methyl-2<I>H</I>-quinolin-4-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-1-methyl-2H-quinolin-4-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-1-methyl-2H-quinolin-4-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-1-methyl-2H-quinolin-4-ol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H16N2O/c1-13(2)9-4-5-10-11(8-9)14(3)7-6-12(10)15/h4-6,8,15H,7H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NPUYEPYMFRHFKC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.126263138 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H16N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CC=C(C2=C1C=C(C=C2)N(C)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CC=C(C2=C1C=C(C=C2)N(C)C)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 26.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.126263138 15 0 0 0 0 0 0 0 1 -1