70555838 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 39 40 41 42 43 44 8 8 8 7 7 7 6 6 6 6 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 1 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 11 11 14 14 15 15 16 16 17 17 18 18 19 19 19 20 21 22 22 23 24 24 24 25 25 25 10 41 12 13 11 12 19 9 13 26 15 24 38 10 12 13 9 10 14 18 16 17 22 27 20 21 20 28 21 29 23 30 31 32 33 34 35 23 36 37 25 39 40 42 43 44 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 1 1 1 2 1 1 1 2 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 33 34 35 36 37 38 39 40 41 42 43 44 4.666 6.3981 6.3981 7.2641 4.666 10.7282 5.5321 3.8 3.8 4.666 8.1301 6.3981 5.5321 2.9061 9.8622 8.1301 8.9962 2.9061 7.2641 8.9962 9.8622 2 2 11.5942 12.4603 4.666 2.9132 7.5932 8.9962 2.9132 6.6441 7.2641 7.8841 8.9962 10.3991 1.4643 1.4643 10.7282 11.1957 11.9928 4.1291 12.7703 12.9972 12.1503 1.25 1.25 -1.75 -0.25 -1.75 1.75 -0.25 -0.25 -1.25 0.25 0.25 0.25 -1.25 0.2847 1.25 1.25 -0.25 -1.7847 -1.25 1.75 0.25 -0.2292 -1.2708 1.25 1.75 -2.37 0.9046 1.56 -0.87 -2.4046 -1.25 -1.87 -1.25 2.37 -0.06 0.0829 -1.5829 2.37 0.7751 0.7751 1.56 1.2131 2.06 2.2869 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 8 8 8 9 11 11 14 15 15 16 17 18 22 9 13 10 13 9 10 14 18 16 17 22 20 21 20 21 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 552 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 3 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 00000371E07B3000000000000000000000000000000000000000306080000000000000814000001E00100800000C0CC1980432C083C00200880225525000820000212200088881086CC808262AC8D19184700866D601C8D90790C0200E00008000000200000001000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(ethylamino)phenyl]-4-hydroxy-N-methyl-2-oxo-1H-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(ethylamino)phenyl]-4-hydroxy-N-methyl-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[4-(ethylamino)phenyl]-4-hydroxy-<I>N</I>-methyl-2-oxo-1<I>H</I>-quinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(ethylamino)phenyl]-4-hydroxy-N-methyl-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(ethylamino)phenyl]-N-methyl-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(ethylamino)phenyl]-4-hydroxy-2-keto-N-methyl-1H-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H19N3O3/c1-3-20-12-8-10-13(11-9-12)22(2)19(25)16-17(23)14-6-4-5-7-15(14)21-18(16)24/h4-11,20H,3H2,1-2H3,(H2,21,23,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZOTIQXHJUNDGSM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.14264148 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H19N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC1=CC=C(C=C1)N(C)C(=O)C2=C(C3=CC=CC=C3NC2=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC1=CC=C(C=C1)N(C)C(=O)C2=C(C3=CC=CC=C3NC2=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 81.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 337.14264148 25 0 0 0 0 0 0 0 1 -1