50917769 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 5 6 6 7 9 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 18 18 19 19 20 21 22 22 23 23 24 24 25 8 7 8 26 21 24 5 6 11 7 10 8 9 12 15 16 13 27 17 28 14 29 14 30 31 18 32 19 33 21 34 20 35 20 36 37 22 23 38 25 39 25 40 41 2 1 1 1 1 2 1 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 11 4 28 17 34 21 2 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 6.3981 4.666 2.934 4.666 3.8 5.5321 3.8 5.5321 6.3981 2.9061 4.666 2.9061 2 2 6.3981 7.2641 3.8 7.2641 8.1301 8.1301 3.8 4.666 4.666 2.934 3.8 4.666 2.9132 5.203 2.9132 1.4643 1.4643 5.8612 7.2641 3.2631 7.2641 8.6671 8.6671 5.203 5.203 2.397 3.8 -2.94 -2.94 2.06 -0.94 -1.44 -1.44 -2.44 -2.44 -0.94 -0.9053 0.06 -2.9747 -1.4192 -2.4608 0.06 -1.44 0.56 0.56 -0.94 0.06 1.56 2.06 3.06 3.06 3.56 -3.56 -0.2854 0.37 -3.5946 -1.1071 -2.7729 0.37 -2.06 0.25 1.18 -1.25 0.37 1.75 3.37 3.37 4.18 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 5 5 6 7 9 9 10 12 13 15 16 18 19 21 22 23 24 7 8 21 24 5 6 7 10 8 12 15 16 13 14 14 18 19 20 20 22 23 25 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 544 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000000000000000000000000000000000000003C608100000000000081D000001E00100000000C08C19E043CC092C81000A8033577540082802031022008D8213864D80820F2C09591842008609400C8C9071888808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-phenyl-4-[(E)-2-(2-pyridyl)vinyl]-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-phenyl-4-[(E)-2-(2-pyridinyl)ethenyl]-1H-quinolin-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-phenyl-4-[(<I>E</I>)-2-pyridin-2-ylethenyl]-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-phenyl-4-[(E)-2-pyridin-2-ylethenyl]-1H-quinolin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-phenyl-4-[(E)-2-pyridin-2-ylethenyl]-1H-quinolin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-phenyl-4-[(E)-2-(2-pyridyl)vinyl]carbostyril InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H16N2O/c25-22-21(16-8-2-1-3-9-16)19(14-13-17-10-6-7-15-23-17)18-11-4-5-12-20(18)24-22/h1-15H,(H,24,25)/b14-13+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GYXXQNVMYFUTBE-BUHFOSPRSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.126263138 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H16N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(C3=CC=CC=C3NC2=O)C=CC4=CC=CC=N4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(C3=CC=CC=C3NC2=O)/C=C/C4=CC=CC=N4 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 2021.10.14 324.126263138 25 0 0 0 1 1 0 0 1 -1