56840753 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 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 1 1 2 2 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 9 9 10 10 11 11 11 12 13 13 14 14 15 15 16 16 17 18 18 20 21 22 22 23 24 24 24 25 25 25 21 17 24 19 25 6 8 11 12 20 7 26 27 9 28 29 10 13 14 15 12 16 30 31 32 21 20 33 17 34 18 35 22 36 19 19 37 38 23 23 39 40 41 42 43 44 45 46 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 2 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 2.9176 8.9962 8.9962 4.666 4.666 5.5321 5.5321 4.666 6.3981 3.8 3.8 3.8 5.5321 7.2641 6.3981 2.9061 8.1301 7.2641 8.1301 5.5321 2.9061 2 2 9.8622 8.9962 5.7441 6.1426 5.32 4.9215 4.11 3.2631 3.49 6.069 7.2641 5.8612 2.9132 7.2641 6.069 1.4643 1.4643 10.1722 10.3991 9.5522 9.6162 8.9962 8.3762 -4.2673 1.2673 3.2673 -0.2327 -3.2327 0.2673 1.2673 -1.2327 1.7673 -1.7327 0.2673 -2.7327 -1.7327 1.2673 2.7673 -1.198 1.7673 3.2673 2.7673 -2.7327 -3.2674 -1.7119 -2.7535 1.7673 4.2673 -0.3153 0.375 1.8499 1.1596 0.8042 0.5773 -0.2696 -1.4227 0.6473 3.0773 -0.5781 3.8873 -3.0427 -1.3998 -3.0656 1.2304 2.0773 2.3042 4.2673 4.8873 4.2673 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 8 8 9 9 10 10 12 13 14 15 16 17 18 21 22 12 20 10 13 14 15 12 16 21 20 17 18 22 19 19 23 23 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 411 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 00000371E07B31000000000000000000000000000000000000003C6080000000000000B1F400001F00000000000C0CC19E0E3EC6F3081400A0033467440082882031222008D8203EEC980D26E2C4F1DB84342A64C011CAE80790D0B20E20000100000240004000020000048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-N-methyl-quinolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-N-methyl-4-quinolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-<I>N</I>-methylquinolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-N-methylquinolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoranyl-N-methyl-quinolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (8-fluoro-4-quinolyl)-homoveratryl-methyl-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H21FN2O2/c1-23(12-10-14-7-8-18(24-2)19(13-14)25-3)17-9-11-22-20-15(17)5-4-6-16(20)21/h4-9,11,13H,10,12H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DVBSCLKBSZNDNP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.15870608 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H21FN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CCC1=CC(=C(C=C1)OC)OC)C2=C3C=CC=C(C3=NC=C2)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CCC1=CC(=C(C=C1)OC)OC)C2=C3C=CC=C(C3=NC=C2)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 34.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.15870608 25 0 0 0 0 0 0 0 1 -1