54713837 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 8 7 7 6 6 6 6 6 6 6 6 6 6 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 9 10 11 11 13 14 14 14 15 8 24 12 25 10 6 10 14 13 22 23 7 9 8 11 12 13 16 12 15 17 15 18 19 20 21 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 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 6.0682 7.8003 7.8003 6.0682 2.5381 5.2022 5.2022 6.0682 4.3083 6.9343 4.3083 6.9343 3.4022 6.0682 3.4022 4.3154 4.3154 5.4482 6.0682 6.6882 2.8665 2 2.5405 6.6052 8.3372 1.845 0.845 -1.155 -1.155 -1.1792 -0.655 0.345 0.845 -1.1897 -0.655 0.8797 0.345 -0.6758 -2.155 0.3658 -1.8096 1.4996 -2.155 -2.775 -2.155 0.6779 -0.8712 -1.7992 2.155 0.535 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 7 8 9 10 11 13 6 10 7 9 8 11 12 13 12 15 15 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 327 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 3 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 00000371C0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0C81980432C083400200880225525002820000212200088800486CC80A2622C0D1D184700866D601D8D90790D0210E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-3,4-dihydroxy-1-methyl-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-3,4-dihydroxy-1-methyl-2-quinolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-3,4-dihydroxy-1-methylquinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-3,4-dihydroxy-1-methylquinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-azanyl-1-methyl-3,4-bis(oxidanyl)quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-3,4-dihydroxy-1-methyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H10N2O3/c1-12-7-4-5(11)2-3-6(7)8(13)9(14)10(12)15/h2-4,13-14H,11H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PAGHQEDWENLSHN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.06914219 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H10N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=C(C=CC(=C2)N)C(=C(C1=O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=C(C=CC(=C2)N)C(=C(C1=O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 86.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.06914219 15 0 0 0 0 0 0 0 1 -1