67442221 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 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 3 3 3 4 4 4 5 5 6 6 7 7 7 10 10 11 11 12 13 13 13 14 15 15 15 8 25 9 5 9 13 12 26 27 6 10 8 11 8 9 15 12 16 14 17 14 18 19 20 21 22 23 24 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 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 6.0682 7.8003 6.0682 2.5381 5.2022 5.2022 6.9343 6.0682 6.9343 4.3083 4.3083 3.4022 6.0682 3.4022 7.8003 4.3154 4.3154 5.4482 6.0682 6.6882 2.8665 8.1103 8.3372 7.4903 6.6052 2 2.5405 1.845 -1.155 -1.155 -1.1792 -0.655 0.345 0.345 0.845 -0.655 -1.1897 0.8797 -0.6758 -2.155 0.3658 0.845 -1.8096 1.4996 -2.155 -2.775 -2.155 0.6779 0.3081 1.155 1.3819 2.155 -0.8712 -1.7992 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 6 6 7 7 10 11 12 5 9 6 10 8 11 8 9 12 14 14 0 Compound Canonicalized 5 2012.11.26 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 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 00000371C0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0C81980432C083400200880225525000820000212200088801086CC8082622C0D1D184700866D601C8D90790D0210E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-4-hydroxy-1,3-dimethyl-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-4-hydroxy-1,3-dimethyl-2-quinolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-4-hydroxy-1,3-dimethylquinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-4-hydroxy-1,3-dimethylquinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-azanyl-1,3-dimethyl-4-oxidanyl-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-4-hydroxy-1,3-dimethyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H12N2O2/c1-6-10(14)8-4-3-7(12)5-9(8)13(2)11(6)15/h3-5,14H,12H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BWGPJRCENLTLBI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.089877630 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H12N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C2=C(C=C(C=C2)N)N(C1=O)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C2=C(C=C(C=C2)N)N(C1=O)C)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 66.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.089877630 15 0 0 0 0 0 0 0 1 -1