56840777 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 8 8 8 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 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 19 20 21 22 22 24 24 24 25 25 25 26 26 26 27 27 27 17 24 19 26 23 27 6 8 11 12 20 7 28 29 10 30 31 9 13 12 14 15 16 32 33 34 18 20 35 17 36 19 37 22 38 21 21 39 23 40 41 23 42 25 43 44 45 46 47 48 49 50 51 52 53 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 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 47 48 49 50 51 52 53 3.732 11.5923 11.5923 7.2622 7.2622 8.1282 8.1282 7.2622 6.3961 8.9942 6.3961 6.3961 8.1282 5.5022 9.8602 8.9942 4.5961 5.5022 10.7263 8.1282 4.5961 9.8602 10.7263 2.8641 2 12.4583 11.5923 8.3402 8.7388 7.9161 7.5176 6.7061 5.8592 6.0861 8.6651 5.5094 9.8602 8.4573 5.5094 8.6651 4.0604 9.8602 2.4637 3.2608 2.3121 1.4643 1.6879 12.7683 12.9953 12.1483 12.2123 11.5923 10.9723 -1.7085 0.7673 2.7673 -0.7327 -3.7327 -0.2327 0.7673 -1.7327 -2.2327 1.2673 -0.2327 -3.2327 -2.2327 -1.698 0.7673 2.2673 -2.2118 -3.7673 1.2673 -3.2327 -3.2535 2.7673 2.2673 -2.2052 -1.7018 1.2673 3.7673 -0.8153 -0.125 1.3499 0.6597 0.3043 0.0773 -0.7696 -1.9227 -1.078 0.1473 2.5773 -4.3873 -3.5427 -3.5656 3.3873 -2.6786 -2.6817 -1.1661 -1.3898 -2.2376 0.7304 1.5773 1.8043 3.7673 4.3873 3.7673 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 19 22 12 20 9 13 12 14 15 16 18 20 17 19 22 21 21 23 23 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 436 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C6080000000000000B1F400001E00000000000C0CE19E063EC6F3081400A0033467440082882031222008D8203EEC980D26E2C4F1DB863C2AE4C011CAE807B0D0B20E20400100000240004080020000048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethoxy-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]-6-ethoxy-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]-6-ethoxy-<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]-6-ethoxy-N-methylquinolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethoxy-N-methyl-quinolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-ethoxy-4-quinolyl)-homoveratryl-methyl-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H26N2O3/c1-5-27-17-7-8-19-18(15-17)20(10-12-23-19)24(2)13-11-16-6-9-21(25-3)22(14-16)26-4/h6-10,12,14-15H,5,11,13H2,1-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OTACQUVQNZQTTP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.19434270 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H26N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC2=C(C=CN=C2C=C1)N(C)CCC3=CC(=C(C=C3)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC2=C(C=CN=C2C=C1)N(C)CCC3=CC(=C(C=C3)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 43.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.19434270 27 0 0 0 0 0 0 0 1 -1