54716523 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 29 30 31 32 8 8 8 7 7 6 6 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 1 1 2 3 4 4 4 5 5 5 6 6 7 7 8 8 8 11 11 12 12 14 14 14 15 15 16 17 17 17 18 18 18 9 32 10 13 6 10 14 13 17 18 7 11 9 12 9 10 13 15 19 16 20 21 22 23 16 24 25 26 27 28 29 30 31 1 1 2 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 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 29 30 31 32 4.666 6.3981 6.3981 4.666 7.2641 3.8 3.8 5.5321 4.666 5.5321 2.9061 2.9061 6.3981 4.666 2 2 8.1301 7.2641 2.9132 2.9132 4.046 4.666 5.286 1.4643 1.4643 8.4401 8.6671 7.8201 6.6441 7.2641 7.8841 4.1291 1.845 -1.155 1.845 -1.155 0.345 -0.655 0.345 0.345 0.845 -0.655 -1.1897 0.8797 0.845 -2.155 -0.6758 0.3658 0.845 -0.655 -1.8096 1.4996 -2.155 -2.775 -2.155 -0.9879 0.6779 0.3081 1.155 1.3819 -0.655 -1.275 -0.655 2.155 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 7 8 8 11 12 15 6 10 7 11 9 12 9 10 15 16 16 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 415 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733000000000000000000000000000000000000000304000000000000000810000001E00000800000C0C81980432C083000200880225525000820000212200088801086CC808262AC8D19184700866C601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-N,N,1-trimethyl-2-oxo-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-N,N,1-trimethyl-2-oxo-3-quinolinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-<I>N</I>,<I>N</I>,1-trimethyl-2-oxoquinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-N,N,1-trimethyl-2-oxoquinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N,1-trimethyl-4-oxidanyl-2-oxidanylidene-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-keto-N,N,1-trimethyl-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H14N2O3/c1-14(2)12(17)10-11(16)8-6-4-5-7-9(8)15(3)13(10)18/h4-7,16H,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZXYXSSAQRIDPLX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.10044231 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H14N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.26 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 60.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.10044231 18 0 0 0 0 0 0 0 1 -1