54699095 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 8 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 2 3 3 3 4 4 4 5 5 6 6 7 7 8 9 9 10 11 12 13 14 14 14 15 15 15 16 16 16 11 30 12 5 12 14 7 15 16 6 8 9 11 8 10 17 10 18 19 13 13 20 21 22 23 24 25 26 27 28 29 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 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 6.3981 8.1301 6.3981 2.868 5.532 5.532 3.732 4.6381 4.6381 3.732 6.3981 7.2641 7.2641 6.3981 2 2.8718 4.6453 4.6453 3.1963 7.801 5.7781 6.3981 7.0181 2.3079 1.4619 1.6921 2.2518 2.8742 3.4918 6.935 1.8571 -1.1429 -1.1429 -1.1671 -0.6429 0.3571 -0.6637 -1.1776 0.8917 0.3779 0.8571 -0.6429 0.3571 -2.1429 -0.6704 -2.1671 -1.7976 1.5117 0.69 0.6671 -2.1429 -2.7629 -2.1429 -0.1323 -0.3625 -1.2086 -2.1695 -2.7871 -2.1647 2.1671 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 6 6 7 7 9 11 12 5 12 6 8 9 11 8 10 10 13 13 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 325 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 00000371C0733000000000000000000000000000000000000000304000000000000000810000001E00000800000C0C81980432C083000200880225525000820000212200088800086CC8082622C0D1D184700866C601C8D90790D0230E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-1-methyl-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-1-methyl-2-quinolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-1-methylquinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-1-methylquinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-1-methyl-4-oxidanyl-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-4-hydroxy-1-methyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H14N2O2/c1-13(2)8-4-5-9-10(6-8)14(3)12(16)7-11(9)15/h4-7,15H,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HIKUCHLSTUZMDX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 218.105527694 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H14N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 218.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=C(C=CC(=C2)N(C)C)C(=CC1=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=C(C=CC(=C2)N(C)C)C(=CC1=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 43.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 218.105527694 16 0 0 0 0 0 0 0 1 -1