64311750 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 13 13 14 15 15 16 16 17 17 17 18 19 20 20 20 5 28 9 6 8 9 5 6 21 22 7 23 24 25 8 10 11 12 13 26 14 27 15 16 14 29 30 18 31 19 32 18 19 20 33 34 35 36 37 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 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 7.2641 6.3981 7.2641 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 6.3981 7.801 7.8201 8.6671 8.4401 2.845 -1.655 -0.155 1.345 1.845 0.345 1.345 0.345 -1.155 1.8797 -0.1897 -1.655 1.3658 0.3242 -2.655 -1.155 -2.655 -3.155 -1.655 -3.155 1.2373 1.9276 2.155 -0.2376 0.4527 2.4996 -0.8096 3.155 1.6779 0.0121 -2.965 -0.535 -3.775 -1.345 -3.6919 -3.465 -2.6181 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 17 1 8 10 11 13 14 15 16 14 18 19 18 19 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 349 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A30000000000000000000000000000000000000003C6080000000000000B14000001E00000800000C1CE1980632C083000200880225525000820000250200088801086CC8083632C0959184710866C601C8D98798C8A08E40000000000200008000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(p-tolyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylphenyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-hydroxy-3,4-dihydro-2<I>H</I>-quinolin-1-yl)-(4-methylphenyl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylphenyl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-methylphenyl)-(4-oxidanyl-3,4-dihydro-2H-quinolin-1-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(p-tolyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H17NO2/c1-12-6-8-13(9-7-12)17(20)18-11-10-16(19)14-4-2-3-5-15(14)18/h2-9,16,19H,10-11H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XNYUHZZMEILBAR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 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 CC1=CC=C(C=C1)C(=O)N2CCC(C3=CC=CC=C32)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)C(=O)N2CCC(C3=CC=CC=C32)O 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