54684114 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 8 8 8 9 9 10 11 11 12 12 12 14 14 15 15 17 17 17 18 18 19 20 20 21 22 22 23 23 24 24 25 13 38 10 16 7 8 10 16 20 37 21 43 44 9 14 12 26 27 13 15 11 13 16 17 28 29 18 30 19 31 32 33 34 19 35 36 21 22 23 24 39 25 40 25 41 42 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 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 39 40 41 42 43 44 4.666 6.3981 6.3981 4.666 7.2641 8.9962 3.8 4.666 3.8 5.5321 5.5321 5.5321 4.666 2.9061 2.9061 6.3981 5.5321 2 2 8.1301 8.9962 8.1301 9.8622 8.9962 9.8622 4.0555 4.454 6.1426 5.7441 2.9132 2.9132 4.9121 5.5321 6.1521 1.4643 1.4643 7.2641 4.1291 7.5932 10.3991 8.9962 10.3991 9.5331 8.4592 2.5 -0.5 2.5 -0.5 1 -0 0 -1.5 1 0 1 -2 1.5 -0.5347 1.5347 1.5 -3 -0.0208 1.0208 1.5 1 2.5 1.5 3 2.5 -1.3923 -2.0826 -2.1077 -1.4174 -1.1546 2.1546 -3 -3.62 -3 -0.3329 1.3329 0.38 2.81 2.81 1.19 3.62 2.81 -0.31 -0.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 9 9 10 11 14 15 18 20 20 21 22 23 24 7 10 9 14 13 15 11 13 18 19 19 21 22 23 24 25 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 560 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3000000000000000000000000000000000000000306080000000000000814000001E00100800000C0CC1980432C083C00200880225525000820000212200088801087CC808662AC8D19194700866D601C8D90790C0200E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-aminophenyl)-4-hydroxy-2-oxo-1-propyl-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-aminophenyl)-4-hydroxy-2-oxo-1-propyl-3-quinolinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(2-aminophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-aminophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-aminophenyl)-4-oxidanyl-2-oxidanylidene-1-propyl-quinoline-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-aminophenyl)-4-hydroxy-2-keto-1-propyl-quinoline-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H19N3O3/c1-2-11-22-15-10-6-3-7-12(15)17(23)16(19(22)25)18(24)21-14-9-5-4-8-13(14)20/h3-10,23H,2,11,20H2,1H3,(H,21,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OAEMXEVJLKVPSS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 337.14264148 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H19N3O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 337.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3N)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3N)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 95.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 337.14264148 25 0 0 0 0 0 0 0 1 7