54713811 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 8 8 9 10 11 11 13 13 14 15 16 16 16 10 27 12 28 9 6 8 9 14 25 26 7 11 10 13 16 17 18 12 12 14 19 15 20 15 21 22 23 24 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 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 26 27 28 6.0682 7.8003 7.8003 6.0682 2.5381 5.2022 5.2022 6.0682 6.9343 6.0682 4.3083 6.9343 4.3083 3.4022 3.4022 6.9343 5.4577 5.8562 4.3154 4.3154 2.8665 6.6243 7.4712 7.2443 2 2.5405 6.6052 8.3372 2.095 1.095 -0.905 -0.905 -0.9292 -0.405 0.595 -1.905 -0.405 1.095 -0.9397 0.595 1.1297 -0.4258 0.6158 -2.405 -1.7973 -2.4876 -1.5596 1.7496 0.9279 -2.9419 -2.715 -1.8681 -0.6212 -1.5492 2.405 0.785 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 7 9 10 11 13 14 6 9 7 11 10 13 12 12 14 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 3 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 00000371C0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0CC1980432C083400200880225525002820000212200088800486CC80A2622C0D1D184700866D601D8D90790D0210E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-1-ethyl-3,4-dihydroxy-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-1-ethyl-3,4-dihydroxy-2-quinolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-1-ethyl-3,4-dihydroxyquinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-1-ethyl-3,4-dihydroxyquinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-azanyl-1-ethyl-3,4-bis(oxidanyl)quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-amino-1-ethyl-3,4-dihydroxy-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H12N2O3/c1-2-13-8-5-6(12)3-4-7(8)9(14)10(15)11(13)16/h3-5,14-15H,2,12H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RBVJXPCZHRFCMI-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 CCN1C2=C(C=CC(=C2)N)C(=C(C1=O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C2=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 2021.05.07 220.08479225 16 0 0 0 0 0 0 0 1 -1