3108374 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 8 8 7 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 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 13 14 14 15 15 15 17 17 18 18 19 19 20 21 21 21 22 22 22 13 21 16 22 4 8 15 5 6 23 7 9 11 24 25 10 14 10 26 27 12 13 28 29 12 17 18 16 16 30 31 32 33 19 34 20 35 20 36 37 38 39 40 41 42 43 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 4 3 5 6 23 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 43 3.7782 5.5442 6.3903 5.5321 5.5321 4.666 6.4421 7.2558 4.666 7.2814 3.8 3.8 4.65 6.4501 6.3829 5.548 2.9061 2.9061 2 2 3.7667 6.4082 5.5317 4.2675 5.0646 7.4575 7.8685 7.8885 7.5131 6.9882 5.7629 6.3783 7.0029 2.9132 2.9132 1.4643 1.4643 4.3866 3.7595 3.1467 6.7203 6.944 6.0962 1.4936 2.5314 -2.0348 -1.5378 -0.5378 -2.0378 -0.031 -1.5506 -0.0378 -0.5592 -1.5378 -0.5378 1.0037 1.0106 -3.0348 1.5314 -2.0725 -0.0032 -1.5587 -0.517 2.4936 3.0348 -2.1578 -2.5128 -2.5128 -2.1369 -1.4562 -0.6851 0.0158 1.3185 -3.0302 -3.6547 -3.0393 -2.6925 0.6168 -1.8707 -0.205 2.5007 3.1135 2.4864 2.499 3.3468 3.5705 3 8 8 8 8 8 8 8 8 8 8 8 8 4 5 5 7 9 11 11 12 13 14 17 18 19 6 7 9 14 13 12 17 18 16 16 19 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 401 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A30000000000000000000000000000000000000003C60C1000000000000F14000001E00000000000C2CC198063206830004008002204200008208002020000888000E8C880D262284B11B84302A64C0118AA807B0D0F30EA000030000184000D000068000348000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dimethoxy-6-methyl-5,6,6<I>a</I>,7-tetrahydro-4<I>H</I>-dibenzo[de,g]quinoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ORJVQPIHKOARKV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.157228913 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H21NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 21.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.157228913 22 1 0 1 0 0 0 0 1 -1