70111744 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 9 9 9 8 8 7 7 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 2 3 4 4 5 5 6 6 6 7 7 8 8 8 8 9 9 10 10 11 11 12 12 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 22 23 24 26 26 26 27 27 27 25 25 25 21 26 22 27 9 10 32 13 24 9 12 28 29 30 31 11 16 13 14 15 17 18 20 33 21 34 24 35 23 36 19 37 20 25 38 22 23 39 40 41 42 43 44 45 46 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 2 1 2 1 1 1 1 2 1 1 1 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 3.366 2 2.366 10.659 10.6358 6.3465 6.358 7.1951 7.2067 6.358 5.4641 8.0553 5.4641 4.5981 8.927 7.2641 8.0437 4.5981 3.732 3.732 9.7872 9.7757 8.9039 7.2641 2.866 11.5192 10.6243 6.9763 6.5858 7.4254 7.816 5.806 4.5981 8.9342 7.7998 7.5032 4.5981 3.1951 8.8967 7.7998 11.8353 12.0525 11.203 11.2442 10.6171 10.0043 -4.2252 -3.8592 -2.4931 1.2254 3.2253 -0.3246 -3.3938 1.1853 0.1854 -1.3245 -1.8592 1.6953 -2.8592 -1.3592 1.2054 -1.8384 2.6952 -3.3592 -2.8592 -1.8592 1.7154 2.7153 3.2052 -2.88 -3.3592 1.7354 4.2252 1.7655 1.0706 -0.3947 0.3001 -0.0208 -0.7392 0.5854 -1.5263 2.999 -3.9792 -1.5492 3.8252 -3.192 1.2021 2.0516 2.2687 4.2324 4.8452 4.218 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 10 10 11 11 12 12 13 14 15 16 17 18 19 21 22 13 24 11 16 13 14 15 17 18 20 21 24 23 19 20 22 23 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 463 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 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 00000371E07B31800000000000000000000000000000000000003C6080000000000000B1F400001F00100000000C0CC19E163EC6F2C81400A0033467440082882031222008D8A03EEC980D26E2C4F1DB84342A64D011CAE80790D0F20E6000014000024000C000028000048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(trifluoromethyl)quinolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(trifluoromethyl)-4-quinolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(3,4-dimethoxyphenyl)ethyl]-7-(trifluoromethyl)quinolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(trifluoromethyl)quinolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(trifluoromethyl)quinolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 homoveratryl-[7-(trifluoromethyl)-4-quinolyl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H19F3N2O2/c1-26-18-6-3-13(11-19(18)27-2)7-9-24-16-8-10-25-17-12-14(20(21,22)23)4-5-15(16)17/h3-6,8,10-12H,7,9H2,1-2H3,(H,24,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QSXOGTBGJDLENV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.13986234 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H19F3N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C(C=C1)CCNC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C(C=C1)CCNC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 43.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.13986234 27 0 0 0 0 0 0 0 1 -1