56985538 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 45 46 47 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 6 1 1 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 8 8 9 9 9 12 12 12 13 13 15 15 16 16 17 17 17 18 18 19 20 20 21 21 22 22 23 24 25 25 25 26 26 26 10 42 11 14 7 11 17 12 14 34 20 25 41 8 13 10 15 10 11 14 16 27 28 18 29 19 30 21 22 31 32 33 19 35 36 23 24 23 37 24 38 39 40 26 43 44 45 46 47 1 1 2 2 1 1 1 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 2 1 1 2 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 38 39 40 41 42 43 44 45 46 47 4.666 6.3981 6.3981 4.666 7.2641 11.5942 3.8 3.8 5.5321 4.666 5.5321 8.1301 2.9061 6.3981 2.9061 8.9962 4.666 2 2 10.7282 9.8622 8.9962 10.7282 9.8622 12.4603 13.3263 8.5287 7.7316 2.9132 2.9132 4.046 4.666 5.286 7.2641 1.4643 1.4643 9.8622 8.4592 11.2651 9.8622 11.5942 4.1291 12.8588 12.0617 13.0163 13.8632 13.6363 1.845 -1.155 1.845 -1.155 0.345 -1.155 -0.655 0.345 0.345 0.845 -0.655 0.845 -1.1897 0.845 0.8797 0.345 -2.155 -0.6758 0.3658 -0.655 0.845 -0.655 0.345 -1.155 -0.655 -1.155 1.32 1.32 -1.8096 1.4996 -2.155 -2.775 -2.155 -0.275 -0.9879 0.6779 1.465 -0.965 0.655 -1.775 -1.775 2.155 -0.1801 -0.1801 -1.6919 -1.465 -0.6181 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 8 8 9 9 13 15 16 16 18 20 20 21 22 7 11 8 13 10 15 10 11 18 19 21 22 19 23 24 23 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 567 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000306080000000000000814000001E00100800000C0CC1980432C083C00200880225525000820000212200088881086CC808262AC8D19184700866D601C8D90790C0200E08000000000200001000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[4-(ethylamino)phenyl]methyl]-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-[[4-(ethylamino)phenyl]methyl]-4-hydroxy-1-methyl-2-oxo-3-quinolinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[[4-(ethylamino)phenyl]methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[4-(ethylamino)phenyl]methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[[4-(ethylamino)phenyl]methyl]-1-methyl-4-oxidanyl-2-oxidanylidene-quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(ethylamino)benzyl]-4-hydroxy-2-keto-1-methyl-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H21N3O3/c1-3-21-14-10-8-13(9-11-14)12-22-19(25)17-18(24)15-6-4-5-7-16(15)23(2)20(17)26/h4-11,21,24H,3,12H2,1-2H3,(H,22,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OZTFDPIPQSETOA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.15829154 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H21N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3N(C2=O)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCNC1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3N(C2=O)C)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 2021.05.07 351.15829154 26 0 0 0 0 0 0 0 1 -1