54684641 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 5 5 6 6 6 7 8 9 9 10 11 11 12 12 12 13 13 14 8 25 7 4 6 7 5 9 8 11 12 15 16 10 10 13 17 18 14 19 20 21 22 14 23 24 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 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 4.666 6.3981 4.666 3.8 3.8 4.666 5.5321 4.666 2.9061 5.5321 2.9061 5.5321 2 2 4.0555 4.454 2.9132 6.069 2.9132 5.2221 6.069 5.8421 1.4643 1.4643 5.203 2.095 -0.905 -0.905 -0.405 0.595 -1.905 -0.405 1.095 -0.9397 0.595 1.1297 -2.405 -0.4258 0.6158 -1.7973 -2.4876 -1.5596 0.905 1.7496 -2.9419 -2.715 -1.8681 -0.7379 0.9279 2.405 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 7 8 9 11 13 4 7 5 9 8 11 10 10 13 14 14 0 Compound Canonicalized 5 2015.09.10 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 273 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 1 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 00000371C0723000000000000000000000000000000000000000304000000000000000810000001E00000800000C0CC1980432C083000200880225525000820000212200088800086CC8082622C0919184700866C601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-hydroxy-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-hydroxy-2-quinolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-hydroxyquinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-hydroxyquinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-oxidanyl-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-hydroxy-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H11NO2/c1-2-12-9-6-4-3-5-8(9)10(13)7-11(12)14/h3-7,13H,2H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BGDQBJBWFAWHHJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.2 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 CCN1C2=CC=CC=C2C(=CC1=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C2=CC=CC=C2C(=CC1=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.5 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