64311945 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 10 11 11 12 12 13 13 13 14 14 15 16 16 17 17 18 18 19 19 20 20 21 5 33 9 6 8 9 5 6 22 23 7 24 25 26 8 11 12 10 13 27 28 14 29 15 30 16 31 32 15 34 35 17 18 19 36 20 37 21 38 21 39 40 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 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 5.5321 2.9061 2.9061 5.5321 2 2 6.3981 7.2641 6.3981 8.1301 7.2641 8.1301 6.1426 5.7441 5.203 5.7441 6.1426 6.1426 5.7441 2.9132 2.9132 4.9215 5.32 5.203 1.4643 1.4643 7.2641 5.8612 8.6671 7.2641 8.6671 3.595 -0.905 0.595 2.095 2.595 1.095 2.095 1.095 -0.405 -0.905 2.6297 0.5603 -1.905 2.1158 1.0742 -2.405 -1.905 -3.405 -2.405 -3.905 -3.405 1.9873 2.6776 2.905 0.5124 1.2027 -1.0127 -0.3224 3.2496 -0.0596 -1.7973 -2.4876 3.905 2.4279 0.7621 -1.285 -3.715 -2.095 -4.525 -3.715 3 8 8 8 8 8 8 8 8 8 8 8 8 5 7 7 8 11 12 14 16 16 17 18 19 20 1 8 11 12 14 15 15 17 18 19 20 21 21 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 351 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A30000000000000000000000000000000000000003C6080000000000000B14000001E00000800000C1CE1980630C083000200880225525000820000210200088801086C88083632C0919184700866C601C8D80798C8A08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenyl-propan-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenyl-1-propanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-hydroxy-3,4-dihydro-2<I>H</I>-quinolin-1-yl)-3-phenylpropan-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-oxidanyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenyl-propan-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenyl-propan-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H19NO2/c20-17-12-13-19(16-9-5-4-8-15(16)17)18(21)11-10-14-6-2-1-3-7-14/h1-9,17,20H,10-13H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UKYQGVMZQJNJSI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.5 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 2021.05.07 C18H19NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 281.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C2=CC=CC=C2C1O)C(=O)CCC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C2=CC=CC=C2C1O)C(=O)CCC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 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