54713096 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 8 8 8 7 7 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 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 14 14 15 16 16 18 19 19 20 20 21 21 22 13 15 42 17 6 13 36 17 18 37 7 8 23 9 24 25 10 26 27 11 28 29 12 30 31 12 32 33 34 35 14 15 17 16 18 19 20 21 38 22 39 22 40 41 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6.3981 4.666 6.3981 7.2641 4.666 8.1301 8.9564 8.0554 9.9119 8.7885 10.2773 9.7773 6.3981 5.5321 4.666 3.8 5.5321 3.8 2.9061 2.9061 2 2 7.582 8.5019 9.2664 7.7454 7.463 9.9583 10.525 9.015 8.2762 10.7896 10.7318 10.3697 9.731 7.2641 4.666 2.9132 2.9132 1.4643 1.4643 4.1291 1.4713 1.4713 -1.5287 -0.0287 -1.5287 0.4713 -0.092 1.4685 0.2027 2.1487 1.1336 1.9996 0.4713 -0.0287 0.4713 -0.0287 -1.0287 -1.0287 0.506 -1.5634 -0.0079 -1.0495 0.761 -0.5137 -0.6289 2.0054 1.2858 -0.4155 0.1103 2.7258 2.498 0.7844 1.5553 2.1824 2.6179 -0.6487 -2.1487 1.1259 -2.1833 0.3042 -1.3616 1.7813 8 8 8 8 8 8 8 8 8 8 8 5 5 14 14 15 16 16 18 19 20 21 17 18 15 17 16 18 19 20 21 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 478 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3000000000000000000000000000000000000000304000000600000000810000001E00100800000C2CC1980430C082C00200880225525000820000212200088881086CC808262AC8D19184700866D601C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cycloheptyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cycloheptyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-cycloheptyl-4-hydroxy-2-oxo-1<I>H</I>-quinoline-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cycloheptyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cycloheptyl-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-cycloheptyl-4-hydroxy-2-keto-1H-quinoline-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H20N2O3/c20-15-12-9-5-6-10-13(12)19-17(22)14(15)16(21)18-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H,18,21)(H2,19,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IVNABZUAENFULV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.14739250 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H20N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.35 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCCC(CC1)NC(=O)C2=C(C3=CC=CC=C3NC2=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCCC(CC1)NC(=O)C2=C(C3=CC=CC=C3NC2=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 78.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.14739250 22 0 0 0 0 0 0 0 1 -1