54679302 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 17 8 8 8 7 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 2 2 3 3 4 5 5 5 6 6 6 7 7 7 8 10 10 12 12 13 13 14 14 15 15 16 16 18 18 19 20 21 21 22 22 23 23 24 24 25 25 26 17 9 35 18 21 11 8 11 27 9 10 11 8 9 12 13 14 15 16 28 17 29 19 30 20 31 17 32 19 20 33 34 22 23 24 36 25 37 26 38 26 39 40 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 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 38 39 40 2 5.5301 9.8602 7.2622 5.5301 6.3961 4.6641 4.6641 5.5301 7.2622 6.3961 3.7702 3.7702 7.2622 8.1282 2.8641 2.8641 8.9942 8.1282 8.9942 10.7263 10.7263 11.5923 11.5923 12.4583 12.4583 5.5301 3.7773 3.7773 6.7252 8.1282 2.3284 8.1282 9.5312 4.9932 10.1893 11.5923 11.5923 12.9953 12.9953 -1.4642 1.56 2.06 -1.44 -1.44 0.06 0.06 -0.94 0.56 0.56 -0.94 0.5947 -1.4747 1.56 0.06 0.0808 -0.9608 1.56 2.06 0.56 1.56 0.56 2.06 0.06 1.56 0.56 -2.06 1.2146 -2.0946 1.87 -0.56 0.3929 2.68 0.25 1.87 0.25 2.68 -0.56 1.87 0.25 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 7 7 8 10 10 12 13 14 15 16 18 18 21 21 22 23 24 25 8 11 9 11 8 9 12 13 14 15 16 17 19 20 17 19 20 22 23 24 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 550 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 2 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 00000371C07A30000400000000000000000000000000000000003060C1000000000000815000001E02100800000C0E81982030C682C00600880225525000820800212700088801066EC80C2632C5B79B867828E6D411C8F90798C8A08E24000000020200004800000004040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1<I>H</I>-quinolin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)-1H-quinolin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-chloranyl-4-oxidanyl-3-(4-phenoxyphenyl)-1H-quinolin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-chloro-4-hydroxy-3-(4-phenoxyphenyl)carbostyril InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H14ClNO3/c22-14-8-11-17-18(12-14)23-21(25)19(20(17)24)13-6-9-16(10-7-13)26-15-4-2-1-3-5-15/h1-12H,(H2,23,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PDJGPBAMXFVBLT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 363.0662210 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H14ClNO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 363.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(C4=C(C=C(C=C4)Cl)NC3=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(C4=C(C=C(C=C4)Cl)NC3=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 58.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 363.0662210 26 0 0 0 0 0 0 0 1 -1