69927418 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 44 45 46 16 8 7 7 6 6 6 6 6 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 2 3 3 3 4 4 5 5 5 6 6 7 7 8 8 8 9 9 10 10 11 13 13 14 14 15 16 16 17 17 18 18 19 19 20 20 21 22 22 23 24 25 25 26 26 27 27 28 5 15 12 11 12 32 24 27 6 8 29 7 12 9 10 13 30 31 11 14 16 18 17 15 33 20 34 35 19 36 21 37 22 38 23 24 21 39 40 23 41 42 25 26 43 28 44 28 45 46 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 2 1 1 1 1 5 1 6 8 29 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 44 45 46 6.5026 6.3981 4.666 6.3981 6.3981 5.5321 4.666 7.3116 3.8 4.666 3.8 5.5321 7.9808 2.9061 7.4808 5.5321 2.9061 3.8 5.5321 2 2 3.8 4.666 6.3981 7.2641 8.1301 7.2641 8.1301 5.8781 7.0016 7.8132 4.666 8.5974 2.9132 7.7329 6.069 2.9132 3.2631 1.4643 1.4643 3.2631 4.666 7.2641 8.6671 7.2641 8.6671 0.0545 -2.94 -2.94 3.06 -0.94 -1.44 -0.94 -1.3467 -1.44 0.06 -2.44 -2.44 -0.6036 -0.9053 0.2624 0.56 -2.9747 0.56 1.56 -1.4192 -2.4608 1.56 2.06 2.06 1.56 2.06 3.56 3.06 -0.6023 -1.8837 -1.7112 -3.56 -0.6684 -0.2854 0.8288 0.25 -3.5946 0.25 -1.1071 -2.7729 1.87 2.68 0.94 1.75 4.18 3.37 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 6 6 7 9 9 10 10 11 14 16 17 18 19 20 22 24 25 26 27 11 12 24 27 6 7 12 9 11 14 16 18 17 20 19 21 22 23 21 23 25 26 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 657 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 00000371E07B20004000000000000000000000000001000000003C608100000000000081D000001E04100000000C08C5DE04BCC092C81008A8033577540082802031023008D8213864D80820F2E09191842008609400C8C9071880C00E00000200000200000000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2,3-dihydrothiophen-2-yl)-4-[3-(2-pyridyl)phenyl]-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2,3-dihydrothiophen-2-yl)-4-[3-(2-pyridinyl)phenyl]-1H-quinolin-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2,3-dihydrothiophen-2-yl)-4-(3-pyridin-2-ylphenyl)-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2,3-dihydrothiophen-2-yl)-4-(3-pyridin-2-ylphenyl)-1H-quinolin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2,3-dihydrothiophen-2-yl)-4-(3-pyridin-2-ylphenyl)-1H-quinolin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2,3-dihydrothiophen-2-yl)-4-[3-(2-pyridyl)phenyl]carbostyril InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H18N2OS/c27-24-23(21-12-6-14-28-21)22(18-9-1-2-11-20(18)26-24)17-8-5-7-16(15-17)19-10-3-4-13-25-19/h1-11,13-15,21H,12H2,(H,26,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CYXXTPURLDSQIM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.11398438 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H18N2OS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C=CSC1C2=C(C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C5=CC=CC=N5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C=CSC1C2=C(C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C5=CC=CC=N5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 67.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.11398438 28 1 0 1 0 0 0 0 1 -1