57263522 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 8 8 8 7 7 7 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 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 12 12 13 13 15 15 15 16 16 16 17 17 18 18 19 20 20 21 21 22 22 23 23 10 37 11 14 7 11 15 14 16 32 24 40 41 8 12 10 13 10 11 14 18 25 19 26 29 30 31 17 27 28 20 21 19 33 34 22 35 23 36 24 38 24 39 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 1 1 1 2 1 2 1 1 1 1 2 1 2 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 4.666 6.3981 6.3981 4.666 7.2641 11.5942 3.8 3.8 5.5321 4.666 5.5321 2.9061 2.9061 6.3981 4.666 8.1301 8.9962 2 2 9.8622 8.9962 10.7282 9.8622 10.7282 2.9132 2.9132 8.5287 7.7316 4.046 4.666 5.286 7.2641 1.4643 1.4643 9.8622 8.4592 4.1291 11.2651 9.8622 12.1312 11.5942 1.845 -1.155 1.845 -1.155 0.345 -1.155 -0.655 0.345 0.345 0.845 -0.655 -1.1897 0.8797 0.845 -2.155 0.845 0.345 -0.6758 0.3658 0.845 -0.655 0.345 -1.155 -0.655 -1.8096 1.4996 1.32 1.32 -2.155 -2.775 -2.155 -0.275 -0.9879 0.6779 1.465 -0.965 2.155 0.655 -1.775 -0.845 -1.775 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 12 13 17 17 18 20 21 22 23 7 11 8 12 10 13 10 11 18 19 20 21 19 22 23 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 538 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 3 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-aminophenyl)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-aminophenyl)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-aminophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(4-aminophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(4-aminophenyl)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-aminobenzyl)-4-hydroxy-2-keto-1-methyl-quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H17N3O3/c1-21-14-5-3-2-4-13(14)16(22)15(18(21)24)17(23)20-10-11-6-8-12(19)9-7-11/h2-9,22H,10,19H2,1H3,(H,20,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OFFDJTIDIVPYHF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.12699141 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H17N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC3=CC=C(C=C3)N)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC3=CC=C(C=C3)N)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 95.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.12699141 24 0 0 0 0 0 0 0 1 -1