54716441 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 8 8 8 7 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 1 2 2 3 4 4 4 5 5 5 6 6 7 7 8 9 10 10 12 12 13 14 14 14 15 16 16 16 11 16 8 23 9 6 9 14 13 24 25 7 10 8 12 11 11 13 17 15 18 15 19 20 21 22 26 27 28 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 2 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 7.8003 6.0682 7.8003 6.0682 2.5381 5.2022 5.2022 6.0682 6.9343 4.3083 6.9343 4.3083 3.4022 6.0682 3.4022 8.6663 4.3154 4.3154 5.4482 6.0682 6.6882 2.8665 6.6052 2 2.5405 8.3563 9.2033 8.9763 0.845 1.845 -1.155 -1.155 -1.1792 -0.655 0.345 0.845 -0.655 -1.1897 0.345 0.8797 -0.6758 -2.155 0.3658 0.345 -1.8096 1.4996 -2.155 -2.775 -2.155 0.6779 2.155 -0.8712 -1.7992 -0.1919 0.035 0.8819 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 7 8 9 10 12 13 6 9 7 10 8 12 11 11 13 15 15 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 340 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0C81980632C083400600880225525002820800212200088800486CC80A2622C0D1D585700866D601D8D90790D0210E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-4-hydroxy-3-methoxy-1-methyl-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-4-hydroxy-3-methoxy-1-methyl-2-quinolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-4-hydroxy-3-methoxy-1-methylquinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-4-hydroxy-3-methoxy-1-methylquinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-azanyl-3-methoxy-1-methyl-4-oxidanyl-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-4-hydroxy-3-methoxy-1-methyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H12N2O3/c1-13-8-5-6(12)3-4-7(8)9(14)10(16-2)11(13)15/h3-5,14H,12H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KVFUICXSRCFFTC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 220.08479225 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H12N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 220.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=C(C=CC(=C2)N)C(=C(C1=O)OC)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=C(C=CC(=C2)N)C(=C(C1=O)OC)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 75.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 220.08479225 16 0 0 0 0 0 0 0 1 -1