54676664 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 16 8 8 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 2 3 4 7 7 7 8 8 8 9 9 10 10 11 11 12 12 12 15 15 15 16 16 17 17 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 28 28 5 6 9 20 13 39 14 18 10 14 15 18 19 33 42 43 11 16 13 17 13 14 18 23 29 30 21 31 22 32 20 24 25 22 34 35 28 36 26 37 27 38 27 40 41 44 45 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 1 1 1 1 2 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 8.9962 4.666 6.3981 6.3981 8.9962 7.9962 4.666 7.2641 9.9962 3.8 3.8 5.5321 4.666 5.5321 4.666 2.9061 2.9061 6.3981 8.1301 8.9962 2 2 5.5321 8.1301 9.8622 8.9962 9.8622 5.5321 4.0555 4.454 2.9132 2.9132 7.2641 1.4643 1.4643 6.069 7.5932 10.3991 4.1291 8.9962 10.3991 10.3062 10.3062 4.9951 6.069 -0 2.5 -0.5 2.5 -1 -0 -0.5 1 -0 0 1 1 1.5 0 -1.5 -0.5347 1.5347 1.5 1.5 1 -0.0208 1.0208 -2 2.5 1.5 3 2.5 -3 -1.3923 -2.0826 -1.1546 2.1546 0.38 -0.3329 1.3329 -1.69 2.81 1.19 2.81 3.62 2.81 -0.5369 0.5369 -3.31 -3.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 10 10 11 11 12 12 16 17 19 19 20 21 24 25 26 10 14 11 16 13 17 13 14 21 22 20 24 25 22 26 27 27 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 786 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 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 00000371E07B3800400000000000000000000000000000000000306080000000000000814000001E04104800000C0CC1D80430C183C00202880225525070C2001021220008881D086CC808262AC8D19184700866D601C8D90790C0200E00000000000201000000000000040200000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-allyl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-oxo-1-prop-2-enyl-N-(2-sulfamoylphenyl)-3-quinolinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-oxo-1-prop-2-enyl-<I>N</I>-(2-sulfamoylphenyl)quinoline-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-oxo-1-prop-2-enyl-N-(2-sulfamoylphenyl)quinoline-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-oxidanyl-2-oxidanylidene-1-prop-2-enyl-N-(2-sulfamoylphenyl)quinoline-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-allyl-4-hydroxy-2-keto-N-(2-sulfamoylphenyl)quinoline-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H17N3O5S/c1-2-11-22-14-9-5-3-7-12(14)17(23)16(19(22)25)18(24)21-13-8-4-6-10-15(13)28(20,26)27/h2-10,23H,1,11H2,(H,21,24)(H2,20,26,27) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BOWXVSBRCKAMCQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 399.08889182 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H17N3O5S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 399.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C=CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3S(=O)(=O)N)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C=CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3S(=O)(=O)N)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 138 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 399.08889182 28 0 0 0 0 0 0 0 1 -1