54697156 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 38 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 1 1 2 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 9 9 10 10 13 13 13 15 15 16 16 17 17 17 18 18 18 19 19 20 11 38 12 14 6 12 17 10 14 27 7 15 11 16 11 12 14 10 13 21 22 23 24 18 25 26 19 28 20 29 30 31 32 33 34 35 20 36 37 1 1 2 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 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 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 4.666 6.3981 6.3981 4.666 7.2641 3.8 3.8 5.5321 8.9962 8.1301 4.666 5.5321 9.8622 6.3981 2.9061 2.9061 4.666 10.7282 2 2 8.5976 9.3947 8.5287 7.7316 10.2607 9.4637 7.2641 2.9132 2.9132 4.046 4.666 5.286 10.4182 11.2651 11.0382 1.4643 1.4643 4.1291 1.845 -1.155 1.845 -1.155 0.345 -0.655 0.345 0.345 0.345 0.845 0.845 -0.655 0.845 0.845 -1.1897 0.8797 -2.155 0.345 -0.6758 0.3658 -0.1299 -0.1299 1.32 1.32 1.32 1.32 -0.275 -1.8096 1.4996 -2.155 -2.775 -2.155 -0.1919 0.035 0.8819 -0.9879 0.6779 2.155 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 7 8 8 15 16 19 6 12 7 15 11 16 11 12 19 20 20 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 431 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 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 00000371E0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0CC1980432C083C00200880225525000820000212200088881086CC808262AC8D19184700866D601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-butyl-4-hydroxy-1-methyl-2-oxo-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-butyl-4-hydroxy-1-methyl-2-oxo-3-quinolinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-butyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-butyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-butyl-1-methyl-4-oxidanyl-2-oxidanylidene-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-butyl-4-hydroxy-2-keto-1-methyl-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H18N2O3/c1-3-4-9-16-14(19)12-13(18)10-7-5-6-8-11(10)17(2)15(12)20/h5-8,18H,3-4,9H2,1-2H3,(H,16,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GSRDLFHEXRWLMZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.13174244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H18N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.31 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCNC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCNC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 69.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 274.13174244 20 0 0 0 0 0 0 0 1 -1