64310208 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 8 8 7 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 2 3 3 3 4 4 4 4 5 5 6 6 7 7 8 9 10 10 11 11 12 12 12 13 13 14 15 15 16 16 17 17 18 18 19 19 20 5 30 9 6 8 9 5 6 21 22 7 23 24 25 8 10 11 12 13 26 14 27 15 28 29 14 31 32 16 17 18 33 19 34 20 35 20 36 37 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 2 1 1 2 1 1 1 2 1 2 1 1 1 1 5 1 4 7 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 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 4.666 6.3981 4.666 5.5321 6.1426 5.7441 5.203 5.7441 6.1426 2.9132 2.9132 6.1426 5.7441 5.203 1.4643 1.4643 6.935 4.1291 6.935 4.1291 5.5321 3.595 -0.905 0.595 2.095 2.595 1.095 2.095 1.095 -0.405 2.6297 0.5603 -0.905 2.1158 1.0742 -1.905 -2.405 -2.405 -3.405 -3.405 -3.905 1.9873 2.6776 2.905 0.5124 1.2027 3.2496 -0.0596 -1.0127 -0.3224 3.905 2.4279 0.7621 -2.095 -2.095 -3.715 -3.715 -4.525 3 8 8 8 8 8 8 8 8 8 8 8 8 5 7 7 8 10 11 13 15 15 16 17 18 19 1 8 10 11 13 14 14 16 17 18 19 20 20 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 338 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A30000000000000000000000000000000000000003C6080000000000000B14000001E00000800000C1CE1980630C083000200880225525000820000210200088801086C88083632C0959184700866C601C8D80798C8A08E00000000000200000000000000040000000000000000 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)-2-phenyl-ethanone 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)-2-phenylethanone 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)-2-phenylethanone 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)-2-phenylethanone 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)-2-phenyl-ethanone 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)-2-phenyl-ethanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H17NO2/c19-16-10-11-18(15-9-5-4-8-14(15)16)17(20)12-13-6-2-1-3-7-13/h1-9,16,19H,10-12H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OWPSURGKOATLQH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 267.125928785 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H17NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 267.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C2=CC=CC=C2C1O)C(=O)CC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C2=CC=CC=C2C1O)C(=O)CC3=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 2021.05.07 267.125928785 20 1 0 1 0 0 0 0 1 -1