54689167 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 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 2 3 4 4 4 5 5 5 6 6 6 7 8 9 11 11 12 12 13 13 14 15 16 16 16 8 23 10 15 7 10 17 9 15 20 7 8 11 12 9 10 13 18 14 19 14 21 22 16 24 25 26 1 1 2 2 1 1 1 1 1 1 1 1 2 2 2 1 1 1 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 26 4.666 6.3981 7.2641 4.666 6.3981 3.8 3.8 4.666 5.5321 5.5321 2.9061 2.9061 2 2 7.2641 8.1301 4.666 2.9132 2.9132 6.3981 1.4643 1.4643 4.1291 8.4401 8.6671 7.8201 1.655 -1.345 -0.845 -1.345 0.655 0.155 -0.845 0.655 0.155 -0.845 0.6897 -1.3797 0.1758 -0.8658 0.155 0.655 -1.965 1.3096 -1.9996 1.275 0.4879 -1.1779 1.965 0.1181 0.965 1.1919 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 6 7 8 9 11 12 13 7 10 7 8 11 12 9 10 13 14 14 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 362 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 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 00000371C0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0C81980032C082C00200880225525000820000212200088800806CC8086622C091B194700866D401C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4-hydroxy-2-oxo-1<I>H</I>-quinolin-3-yl)acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-oxidanyl-2-oxidanylidene-1H-quinolin-3-yl)ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxy-2-keto-1H-quinolin-3-yl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H10N2O3/c1-6(14)12-9-10(15)7-4-2-3-5-8(7)13-11(9)16/h2-5H,1H3,(H,12,14)(H2,13,15,16) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KASFJJGGNGDABH-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 2021.05.07 218.06914219 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H10N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 218.21 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=C(C2=CC=CC=C2NC1=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=C(C2=CC=CC=C2NC1=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 78.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 218.06914219 16 0 0 0 0 0 0 0 1 -1