70304308 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 8 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 6 7 7 8 8 9 9 10 10 12 13 13 13 14 14 14 6 25 11 5 11 16 5 6 8 10 7 11 13 9 15 12 14 12 17 18 19 20 21 22 23 24 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 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 5.5301 7.2622 5.5301 4.6641 4.6641 5.5301 6.3961 3.7702 2.8641 3.7702 6.3961 2.8641 7.2622 2 3.7773 5.5301 3.7773 2.3284 7.5722 7.7991 6.9522 2.3121 1.4643 1.6879 6.0671 1.655 -1.345 -1.345 0.155 -0.845 0.655 0.155 0.6897 0.1758 -1.3797 -0.845 -0.8658 0.655 0.6792 1.3096 -1.965 -1.9996 -1.1779 0.1181 0.965 1.1919 1.2149 0.9912 0.1434 1.965 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 4 5 6 7 8 9 10 5 11 5 6 8 10 7 11 9 12 12 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 296 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0723000000000000000000000000000000000000000304000000000000000810000001E00100800000C0C81980032C082C00200880225525000820000212200088801006CC8082622C0919184700866D401C8D90790C0600E08000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3,6-dimethyl-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3,6-dimethyl-1H-quinolin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3,6-dimethyl-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3,6-dimethyl-1H-quinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3,6-dimethyl-4-oxidanyl-1H-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3,6-dimethyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H11NO2/c1-6-3-4-9-8(5-6)10(13)7(2)11(14)12-9/h3-5H,1-2H3,(H2,12,13,14) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SVMMNJSXGWYSMR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 189.078978594 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H11NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 189.21 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1)NC(=O)C(=C2O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1)NC(=O)C(=C2O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 189.078978594 14 0 0 0 0 0 0 0 1 -1