53377452 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 8 8 7 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 1 1 1 1 1 1 2 3 3 3 4 4 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 12 12 13 13 14 14 15 16 16 17 17 19 20 20 21 22 22 23 23 24 24 25 11 18 11 12 35 15 20 18 21 40 7 8 11 26 9 27 28 10 29 30 10 31 32 33 34 13 14 15 16 17 36 18 19 37 19 38 39 21 22 23 24 41 25 42 25 43 44 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 2 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 41 42 43 44 6.3981 6.3981 5.5321 4.666 4.666 4.666 3.7525 4.5615 3.0834 3.5834 5.5321 6.3981 6.3981 7.2641 5.5321 7.2641 8.1301 5.5321 8.1301 3.8 3.8 2.9061 2.9061 2 2 4.6336 3.2509 4.0625 5.1815 4.6263 2.5818 2.6685 3.775 3.017 4.9951 7.2641 7.2641 8.6671 8.6671 4.666 2.9132 2.9132 1.4643 1.4643 2.2088 -2.7912 0.7088 -0.7912 -2.7912 2.2088 1.802 3.2033 2.5452 3.4112 1.7088 0.2088 -0.7912 0.7088 -1.2912 -1.2912 0.2088 -2.2912 -0.7912 -1.2912 -2.2912 -0.7566 -2.8259 -1.2704 -2.312 1.5896 1.4376 1.2651 3.2033 3.8199 2.9096 2.0844 4.0009 3.6634 0.3988 1.3288 -1.9112 0.5188 -1.1012 -3.4112 -0.1366 -3.4458 -0.9583 -2.6241 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 12 12 13 14 15 16 17 20 20 21 22 23 24 15 20 18 21 13 14 16 17 18 19 19 21 22 23 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 553 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 2 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 00000371E07B3000000000000000000000000000000180000000306080000000000000814000001E00100000000D0881980030C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]cyclopentanecarboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]cyclopentanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]cyclopentanecarboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]cyclopentanecarboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]cyclopentanecarboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]cyclopentanecarboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H19N3O2/c24-19(13-7-1-2-8-13)22-15-10-4-3-9-14(15)18-20(25)23-17-12-6-5-11-16(17)21-18/h3-6,9-13H,1-2,7-8H2,(H,22,24)(H,23,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DQSIGCQGKXBGOG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.147726857 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H19N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 70.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.147726857 25 0 0 0 0 0 0 0 1 -1