64312326 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 8 8 7 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 2 3 3 3 4 4 4 4 5 5 6 6 7 7 8 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 18 18 19 20 20 20 21 21 21 5 29 9 6 8 9 5 6 22 23 7 24 25 26 8 10 11 12 13 27 14 28 15 16 14 30 31 17 32 19 33 18 20 19 21 34 35 36 37 38 39 40 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 5 1 4 7 24 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 4.666 3.8 4.666 5.5321 4.666 5.5321 3.8 3.8 4.666 2.9061 2.9061 5.5321 2 2 5.5321 6.3981 6.3981 7.2641 7.2641 6.3981 8.1301 6.1426 5.7441 5.203 5.7441 6.1426 2.9132 2.9132 5.203 1.4643 1.4643 4.9951 6.3981 7.801 5.7781 6.3981 7.0181 7.8201 8.6671 8.4401 3.345 -1.155 0.345 1.845 2.345 0.845 1.845 0.845 -0.655 2.3797 0.3103 -1.155 1.8658 0.8242 -2.155 -0.655 -2.655 -2.155 -1.155 -3.655 -2.655 1.7373 2.4276 2.655 0.2624 0.9527 2.9996 -0.3096 3.655 2.1779 0.5121 -2.465 -0.035 -0.845 -3.655 -4.275 -3.655 -3.1919 -2.965 -2.1181 3 8 8 8 8 8 8 8 8 8 8 8 8 5 7 7 8 10 11 12 12 13 15 16 17 18 1 8 10 11 13 14 15 16 14 17 19 18 19 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 383 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A30000000000000000000000000000000000000003C6080000000000000B14000001E00000800000C1CE1980632C083000200880225525000820000250200088801086CC8083632C0959184710866C601C8D98798C8E08EC0000200001200008000040000240000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (3,4-dimethylphenyl)-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (3,4-dimethylphenyl)-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (3,4-dimethylphenyl)-(4-hydroxy-3,4-dihydro-2<I>H</I>-quinolin-1-yl)methanone IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (3,4-dimethylphenyl)-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (3,4-dimethylphenyl)-(4-oxidanyl-3,4-dihydro-2H-quinolin-1-yl)methanone IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (3,4-dimethylphenyl)-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H19NO2/c1-12-7-8-14(11-13(12)2)18(21)19-10-9-17(20)15-5-3-4-6-16(15)19/h3-8,11,17,20H,9-10H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DPOGKXRCPDSVOJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 281.141578849 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H19NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 281.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)C(=O)N2CCC(C3=CC=CC=C32)O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)C(=O)N2CCC(C3=CC=CC=C32)O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 281.141578849 21 1 0 1 0 0 0 0 1 -1