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 3.732 2 3.732 7.2622 4.5981 4.5981 6.3981 5.492 5.492 6.3981 3.732 2.866 2.866 3.732 8.1301 7.2583 5.4848 5.4848 6.9338 2.3291 3.112 3.732 4.352 8.438 8.6682 7.8222 6.6383 7.2559 7.8783 3.1951 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 -1.2086 -0.3625 -0.1323 -2.1647 -2.7871 -2.1695 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 3.384 Cactvs xemistry.com 2011.12.21 325 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.12.21 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.12.21 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.12.21 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.12.21 00000371C0733000000000000000000000000000000000000000304000000000000000810000001E00000800000C0C81980432C083000200880225525000820000212200088800086CC8082622C0D1D184700866C601C8D90790D0230E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2011.12.21 7-(dimethylamino)-4-hydroxy-1-methyl-quinolin-2-one IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2011.12.21 7-(dimethylamino)-4-hydroxy-1-methyl-2-quinolinone IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2011.12.21 7-(dimethylamino)-4-hydroxy-1-methylquinolin-2-one IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2011.12.21 7-(dimethylamino)-1-methyl-4-oxidanyl-quinolin-2-one IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2011.12.21 7-(dimethylamino)-4-hydroxy-1-methyl-carbostyril InChI Standard 1 1.0.4 InChI nist.gov 2011.12.21 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 1.0.4 InChI nist.gov 2011.12.21 HIKUCHLSTUZMDX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.12.21 1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 218.105528 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 C12H14N2O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 218.25176 SMILES Canonical 1 1.7.6 OEChem openeye.com 2011.12.21 CN1C2=C(C=CC(=C2)N(C)C)C(=CC1=O)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2011.12.21 CN1C2=C(C=CC(=C2)N(C)C)C(=CC1=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.12.21 43.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.12.21 218.105528 16 0 0 0 0 0 0 0 1 3