68224568 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 33 34 35 36 37 8 8 8 8 7 7 6 6 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 1 1 2 3 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 13 13 14 14 16 16 16 17 17 18 19 19 19 20 21 21 21 12 34 11 15 20 7 9 11 15 19 31 8 13 12 14 16 22 23 11 12 15 17 24 18 25 26 27 28 18 29 30 20 32 33 21 35 36 37 1 1 2 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 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 33 34 35 36 37 4.666 6.3981 6.3981 8.9962 4.666 7.2641 3.8 3.8 4.666 5.5321 5.5321 4.666 2.9061 2.9061 6.3981 5.5321 2 2 8.1301 8.9962 9.8622 4.0555 4.454 2.9132 2.9132 5.2221 6.069 5.8421 1.4643 1.4643 7.2641 8.5287 7.7316 4.1291 10.1722 10.3991 9.5522 2.095 -0.905 2.095 -0.405 -0.905 0.595 -0.405 0.595 -1.905 0.595 -0.405 1.095 -0.9397 1.1297 1.095 -2.405 -0.4258 0.6158 1.095 0.595 1.095 -1.7973 -2.4876 -1.5596 1.7496 -2.9419 -2.715 -1.8681 -0.7379 0.9279 -0.025 1.57 1.57 2.405 0.5581 1.405 1.6319 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 8 8 10 10 13 14 17 7 11 8 13 12 14 11 12 17 18 18 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 498 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0733800000000000000000000000000000000000000304000000000000000810000001E00100800000C0CC1980432C083C002008802A5525000820000212200088881886CC808262AC8D1B184700866C601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-acetonyl-1-ethyl-4-hydroxy-2-oxo-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-hydroxy-2-oxo-N-(2-oxopropyl)-3-quinolinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-hydroxy-2-oxo-<I>N</I>-(2-oxopropyl)quinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-hydroxy-2-oxo-N-(2-oxopropyl)quinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-ethyl-4-oxidanyl-2-oxidanylidene-N-(2-oxidanylidenepropyl)quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-acetonyl-1-ethyl-4-hydroxy-2-keto-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H16N2O4/c1-3-17-11-7-5-4-6-10(11)13(19)12(15(17)21)14(20)16-8-9(2)18/h4-7,19H,3,8H2,1-2H3,(H,16,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KJXRPSZWWXNZML-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.11100700 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H16N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.30 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC(=O)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC(=O)C)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 86.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.11100700 21 0 0 0 0 0 0 0 1 -1