54678678 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 8 8 7 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 3 3 4 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 12 13 13 13 14 14 15 15 15 16 18 18 19 20 20 20 21 21 22 22 23 23 24 16 53 17 17 19 50 5 6 25 26 7 27 28 8 29 30 9 31 32 10 33 34 11 35 36 12 37 38 13 39 40 14 41 42 15 43 44 16 17 20 45 46 18 19 21 22 47 48 49 23 51 24 52 24 54 55 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 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 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 4.666 6.3981 4.666 9.8622 10.7282 8.9962 11.5942 8.1301 12.4603 7.2641 13.3263 6.3981 14.1923 5.5321 15.0583 4.666 5.5321 3.8 3.8 15.9244 2.9061 2.9061 2 2 10.2607 9.4637 10.3297 11.1267 8.5976 9.3947 11.9928 11.1957 8.5287 7.7316 12.0617 12.8588 6.8656 7.6626 13.7248 12.9278 6.7966 5.9996 13.7938 14.5908 15.4569 14.6598 15.6144 16.4613 16.2344 4.666 2.9132 2.9132 5.203 1.4643 1.4643 1.655 -1.345 -1.345 0.655 0.155 0.155 0.655 0.655 0.155 0.155 0.655 0.655 0.155 0.155 0.655 0.655 -0.845 0.155 -0.845 0.155 0.6897 -1.3797 0.1758 -0.8658 1.13 1.13 -0.3199 -0.3199 -0.3199 -0.3199 1.13 1.13 1.13 1.13 -0.3199 -0.3199 -0.3199 -0.3199 1.13 1.13 1.13 1.13 -0.3199 -0.3199 1.13 1.13 -0.3819 -0.155 0.6919 -1.965 1.3096 -1.9996 1.965 0.4879 -1.1779 8 8 8 8 8 8 8 8 8 8 8 3 3 14 14 16 18 18 19 21 22 23 17 19 16 17 18 19 21 22 23 24 24 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 416 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A3000000000000000000000000000000000000000304000000000000000810000001E00100800000C0C81980032C082C00200880225525000820000212200088801006CC8082632C0919184700866D401C8D90798C8A08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-dodecyl-4-hydroxy-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-dodecyl-4-hydroxy-1H-quinolin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-dodecyl-4-hydroxy-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-dodecyl-4-hydroxy-1H-quinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-dodecyl-4-oxidanyl-1H-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-3-lauryl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(23)17-14-12-13-16-19(17)22-21(18)24/h12-14,16H,2-11,15H2,1H3,(H2,22,23,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GMEZLMHSXCGUOB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.235479232 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H31NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCC1=C(C2=CC=CC=C2NC1=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCC1=C(C2=CC=CC=C2NC1=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 329.235479232 24 0 0 0 0 0 0 0 1 -1