16115349 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 9 8 7 7 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 2 3 3 3 4 4 5 5 5 6 6 7 7 8 9 9 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 19 19 20 20 21 21 23 24 22 10 8 10 25 23 24 6 7 9 8 12 10 11 13 18 19 16 17 14 26 15 27 15 28 31 20 29 21 30 23 32 24 33 22 34 22 35 36 37 1 2 1 1 1 2 1 1 2 1 1 2 1 1 2 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 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 8.9962 6.3981 4.666 4.666 4.666 3.8 5.5321 3.8 4.666 5.5321 6.3981 2.9061 2.9061 2 2 7.2641 6.3981 5.5321 3.8 8.1301 7.2641 8.1301 5.5321 3.8 4.666 2.9132 2.9132 1.4643 7.2641 5.8612 1.4643 6.069 3.2631 8.6671 7.2641 6.069 3.2631 1.31 -2.19 -2.19 2.81 -0.19 -0.69 -0.69 -1.69 0.81 -1.69 -0.19 -0.1553 -2.2247 -0.6692 -1.7108 -0.69 0.81 1.31 1.31 -0.19 1.31 0.81 2.31 2.31 -2.81 0.4646 -2.8446 -0.3571 -1.31 1.12 -2.0229 1 1 -0.5 1.93 2.62 2.62 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 6 6 7 8 9 9 11 11 12 13 14 16 17 18 19 20 21 8 10 23 24 6 7 8 12 10 13 18 19 16 17 14 15 15 20 21 23 24 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 504 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B21000000000000000000000000000000000000003C608100000000000081D000001F00100000000C08C19A0C3CC092C81000A8023577540082802031022008D8213864D8082072C09591842008609400C8C9071888C08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(4-fluorophenyl)-4-(4-pyridyl)-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(4-fluorophenyl)-4-pyridin-4-yl-1H-quinolin-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(4-fluorophenyl)-4-pyridin-4-yl-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(4-fluorophenyl)-4-pyridin-4-yl-1H-quinolin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(4-fluorophenyl)-4-pyridin-4-yl-1H-quinolin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(4-fluorophenyl)-4-(4-pyridyl)carbostyril InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H13FN2O/c21-15-7-5-13(6-8-15)19-18(14-9-11-22-12-10-14)16-3-1-2-4-17(16)23-20(19)24/h1-12H,(H,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XGHLQYNFUUFQBV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 316.10119120 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H13FN2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 316.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=C(C(=O)N2)C3=CC=C(C=C3)F)C4=CC=NC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=C(C(=O)N2)C3=CC=C(C=C3)F)C4=CC=NC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 42 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 316.10119120 24 0 0 0 0 0 0 0 1 -1