54687080 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 50 51 52 53 54 55 56 57 58 59 60 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 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 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 5 6 6 6 7 7 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 19 19 20 20 20 21 21 21 24 24 25 25 27 27 27 28 28 29 23 60 18 22 26 17 21 22 7 18 52 26 54 9 10 30 31 11 32 33 13 34 35 12 36 37 14 38 39 15 40 41 16 42 43 18 44 45 46 47 48 19 24 23 25 22 23 26 27 49 50 28 51 29 53 55 56 57 29 58 59 1 1 2 2 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 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 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 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 4.666 8.9962 6.3981 6.3981 4.666 8.1301 7.2641 12.4603 13.3263 11.5942 14.1923 15.0583 10.7282 15.9244 9.8622 16.7904 3.8 8.9962 3.8 5.5321 4.666 5.5321 4.666 2.9061 2.9061 6.3981 5.5321 2 2 12.0617 12.8588 13.7248 12.9278 11.9928 11.1957 13.7938 14.5908 15.4569 14.6598 10.3297 11.1267 15.5258 16.3229 10.2607 9.4637 17.1004 17.3273 16.4804 4.0555 4.454 2.9132 8.1301 2.9132 7.2641 5.2221 6.069 5.8421 1.4643 1.4643 4.1291 2.095 -0.405 -0.905 2.095 -0.905 1.095 0.595 0.595 1.095 1.095 0.595 1.095 0.595 0.595 1.095 1.095 -0.405 0.595 0.595 0.595 -1.905 -0.405 1.095 -0.9397 1.1297 1.095 -2.405 -0.4258 0.6158 0.1201 0.1201 1.57 1.57 1.57 1.57 0.1201 0.1201 1.57 1.57 0.1201 0.1201 0.1201 0.1201 1.57 1.57 0.5581 1.405 1.6319 -1.7973 -2.4876 -1.5596 1.715 1.7496 -0.025 -2.9419 -2.715 -1.8681 -0.7379 0.9279 2.405 8 8 8 8 8 8 8 8 8 8 8 5 5 17 17 19 19 20 20 24 25 28 17 22 19 24 23 25 22 23 28 29 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 617 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 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3800000000000000000000000000000000000000304000000000000000810000001E00180800000C0CC1980432C0836202008802255250008200002122021AA801086CC808263AC8D19184700866D601C8D90798C8A08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-decanoyl-1-ethyl-4-hydroxy-2-oxo-quinoline-3-carbohydrazide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-ethyl-4-hydroxy-2-oxo-N'-(1-oxodecyl)-3-quinolinecarbohydrazide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>&apos;-decanoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-decanoyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-decanoyl-1-ethyl-4-oxidanyl-2-oxidanylidene-quinoline-3-carbohydrazide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-capryl-1-ethyl-4-hydroxy-2-keto-quinoline-3-carbohydrazide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H31N3O4/c1-3-5-6-7-8-9-10-15-18(26)23-24-21(28)19-20(27)16-13-11-12-14-17(16)25(4-2)22(19)29/h11-14,27H,3-10,15H2,1-2H3,(H,23,26)(H,24,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 STZGSXKOCPMQFV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 401.23145648 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H31N3O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 401.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCC(=O)NNC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCC(=O)NNC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 98.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 401.23145648 29 0 0 0 0 0 0 0 1 14