54677714 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 48 49 16 8 8 8 8 8 8 8 7 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 1 2 2 3 4 7 7 8 9 9 9 10 10 10 11 12 12 12 13 13 14 14 15 15 15 18 18 19 19 20 20 20 22 22 23 23 24 25 25 26 26 27 27 28 29 31 31 31 5 6 11 22 16 45 17 21 30 31 30 13 17 20 11 21 39 40 27 30 46 14 18 16 19 16 17 21 23 32 24 33 34 35 36 25 26 24 37 38 28 41 29 42 28 29 43 44 47 48 49 2 2 1 1 1 1 2 2 1 1 2 1 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 2 1 1 1 1 2 1 2 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 48 49 8.9962 4.666 6.3981 6.3981 9.4962 8.4962 14.1923 13.3263 4.666 7.2641 8.1301 12.4603 3.8 3.8 5.5321 4.666 5.5321 2.9061 2.9061 4.666 6.3981 9.8622 2 2 9.8622 10.7282 11.5942 10.7282 11.5942 13.3263 15.0583 2.9132 2.9132 4.046 4.666 5.286 1.4643 1.4643 7.2641 8.1301 9.3252 10.7282 10.7282 12.1312 4.1291 12.4603 15.3683 15.5953 14.7483 0.405 1.905 -1.095 1.905 1.271 -0.461 -1.595 -0.095 -1.095 0.405 0.905 -1.595 -0.595 0.405 0.405 0.905 -0.595 -1.1297 0.9397 -2.095 0.905 -0.095 -0.6158 0.4258 -1.095 0.405 -1.095 -1.595 -0.095 -1.095 -1.095 -1.7496 1.5596 -2.095 -2.715 -2.095 -0.9279 0.7379 -0.215 1.525 -1.405 1.025 -2.215 0.215 2.215 -2.215 -1.6319 -0.785 -0.5581 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 13 13 14 14 15 15 18 19 22 22 23 25 26 27 27 13 17 14 18 16 19 16 17 23 24 25 26 24 28 29 28 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 859 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB800400000000000000000000000000000000000306080000000000000814000001E04184800000C0C81D80632C983E20602880225525870C200102122021AA819086CC908262AC8D19184700866D601C8D90790C0200E00040000000200000008000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl N-[4-[[(4-hydroxy-1-methyl-2-oxo-quinoline-3-carbonyl)amino]sulfamoyl]phenyl]carbamate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[[[(4-hydroxy-1-methyl-2-oxo-3-quinolinyl)-oxomethyl]amino]sulfamoyl]phenyl]carbamic acid methyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl <I>N</I>-[4-[[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]sulfamoyl]phenyl]carbamate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl N-[4-[[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]sulfamoyl]phenyl]carbamate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl N-[4-[[(1-methyl-4-oxidanyl-2-oxidanylidene-quinolin-3-yl)carbonylamino]sulfamoyl]phenyl]carbamate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[[(4-hydroxy-2-keto-1-methyl-quinoline-3-carbonyl)amino]sulfamoyl]phenyl]carbamic acid methyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H18N4O7S/c1-23-14-6-4-3-5-13(14)16(24)15(18(23)26)17(25)21-22-31(28,29)12-9-7-11(8-10-12)20-19(27)30-2/h3-10,22,24H,1-2H3,(H,20,27)(H,21,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HWIWBBBQTXZASV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 446.08962010 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H18N4O7S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 446.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)NC(=O)OC)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)NC(=O)OC)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 163 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 446.08962010 31 0 0 0 0 0 0 0 1 -1