70425296 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 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 1 1 1 2 2 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 14 15 15 16 17 17 18 19 18 13 18 40 4 5 6 20 7 21 22 8 23 24 10 25 26 9 27 28 11 12 14 29 30 31 32 33 13 34 16 35 15 36 37 38 16 17 39 19 41 19 42 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 3 4 5 6 20 3 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 11.5923 9.8222 5.4641 4.5981 6.3301 5.4641 3.732 7.1962 2.866 4.5981 8.0622 7.1962 8.9282 2 8.9282 8.0622 9.8222 10.7282 10.7282 5.4641 4.1996 4.9966 5.9316 6.7287 6.0747 5.6762 4.1306 3.3335 2.4675 3.2646 4.9081 4.0611 4.2881 8.0622 6.6592 2.31 1.4631 1.69 8.0622 9.815 9.815 11.2639 -0.7142 -0.7247 -0.19 -0.69 -0.69 0.81 -0.19 -0.19 -0.69 1.31 -0.69 0.81 -0.19 -0.19 0.81 1.31 1.3446 -0.2108 0.8308 -0.81 -1.165 -1.165 -1.165 -1.165 0.7023 1.3926 0.2849 0.2849 -1.165 -1.165 1.8469 1.62 0.773 -1.31 1.12 0.3469 0.12 -0.727 1.93 -1.3446 1.9646 1.1429 8 8 3 8 8 8 8 8 8 8 8 8 2 2 3 8 8 11 12 13 15 15 17 18 13 18 6 11 12 13 16 15 16 17 19 19 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 323 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A2000000000000000000000000000000000000000304000000000000000810000001E00100000000D0881980032C082C000008802255250008200002102000888000064C8082022C09191842008609400C8C9871080C00E40000040000200008000008000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(2-ethylhexyl)-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(2-ethylhexyl)-1H-quinolin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(2-ethylhexyl)-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(2-ethylhexyl)-1H-quinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(2-ethylhexyl)-1H-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(2-ethylhexyl)carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H23NO/c1-3-5-6-13(4-2)11-14-7-8-15-9-10-17(19)18-16(15)12-14/h7-10,12-13H,3-6,11H2,1-2H3,(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZVZBRDROVABNBO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 257.177964357 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H23NO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 257.37 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC(CC)CC1=CC2=C(C=C1)C=CC(=O)N2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC(CC)CC1=CC2=C(C=C1)C=CC(=O)N2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 29.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 257.177964357 19 1 0 1 0 0 0 0 1 -1