59026338 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 39 8 8 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 7 8 8 10 10 11 11 12 12 12 13 13 14 2 7 23 9 6 9 15 6 7 10 11 8 9 12 13 16 14 17 18 19 20 14 21 22 6 1 1 2 1 1 1 1 1 2 2 2 1 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 5.5321 4.666 6.3981 4.666 3.8 3.8 4.666 5.5321 5.5321 2.9061 2.9061 6.3981 2 2 4.666 2.9132 2.9132 6.7081 6.935 6.0881 1.4643 1.4643 4.1291 2.06 1.56 -1.44 -1.44 0.06 -0.94 0.56 0.06 -0.94 0.5947 -1.4747 0.56 0.0808 -0.9608 -2.06 1.2146 -2.0946 0.0231 0.87 1.0969 0.3929 -1.2729 1.87 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 5 6 7 8 10 11 13 6 9 6 7 10 11 8 9 13 14 14 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 275 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 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 00000371C0723000000000000200000000000000000000000000304000000000000000810000001E00100800000C0C81980032C082C00200880225525000820000212200088801006CC8082622C0919184700866D401C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3-methyl-1H-quinolin-2-one;yttrium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3-methyl-1H-quinolin-2-one;yttrium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3-methyl-1<I>H</I>-quinolin-2-one;yttrium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3-methyl-1H-quinolin-2-one;yttrium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyl-4-oxidanyl-1H-quinolin-2-one;yttrium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3-methyl-carbostyril;yttrium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H9NO2.Y/c1-6-9(12)7-4-2-3-5-8(7)11-10(6)13;/h2-5H,1H3,(H2,11,12,13); InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BLEUMJUWSQGLKM-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.969167 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H9NO2Y Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.09 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C2=CC=CC=C2NC1=O)O.[Y] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C2=CC=CC=C2NC1=O)O.[Y] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.969167 14 0 0 0 0 0 0 0 2 -1