58679807 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 39 8 8 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 11 -1 1 2 2 3 4 4 4 5 5 6 6 7 8 9 9 10 10 12 12 12 13 13 14 11 7 22 8 5 8 12 6 9 7 10 11 11 13 15 14 16 17 18 19 14 20 21 6 1 1 2 1 1 1 1 2 1 2 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 6.3981 4.666 6.3981 4.666 3.8 3.8 4.666 5.5321 2.9061 2.9061 5.5321 4.666 2 2 2.9132 2.9132 4.046 4.666 5.286 1.4643 1.4643 5.203 0.845 1.845 -1.155 -1.155 -0.655 0.345 0.845 -0.655 -1.1897 0.8797 0.345 -2.155 -0.6758 0.3658 -1.8096 1.4996 -2.155 -2.775 -2.155 -0.9879 0.6779 2.155 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 8 9 10 13 5 8 6 9 7 10 11 11 13 14 14 -1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 265 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 1 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 00000371C0723000000000000200000000000000000000000000304000000000000000810000001E00000800000C0C81980432C083000200880225525000820000212200088800086CC8082622C0919184700866C601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-3H-quinolin-3-id-2-one;yttrium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-3H-quinolin-3-id-2-one;yttrium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-3<I>H</I>-quinolin-3-id-2-one;yttrium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-3H-quinolin-3-id-2-one;yttrium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-4-oxidanyl-3H-quinolin-3-id-2-one;yttrium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-1-methyl-3H-quinolin-3-id-2-one;yttrium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H8NO2.Y/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13;/h2-5,12H,1H3;/q-1; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HLCRDFKNTPTNOK-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.961342 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H8NO2Y- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.08 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=CC=CC=C2C(=[C-]C1=O)O.[Y] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=CC=CC=C2C(=[C-]C1=O)O.[Y] 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 2021.05.07 262.961342 14 0 0 0 0 0 0 0 2 -1