53377413 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 8 8 7 7 7 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 2 3 3 3 4 4 5 5 5 6 6 6 6 7 7 7 8 8 10 10 11 11 12 12 13 14 14 15 15 17 17 18 19 20 20 21 21 22 22 23 9 16 9 10 29 13 17 16 18 34 7 8 9 24 8 25 26 27 28 11 12 13 14 15 30 16 19 31 19 32 18 21 20 33 22 35 23 36 23 37 38 2 2 1 1 1 2 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 2 2 1 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 6.3981 6.3981 5.5321 4.666 4.666 4.666 3.666 4.166 5.5321 6.3981 6.3981 7.2641 5.5321 7.2641 8.1301 5.5321 3.8 3.8 8.1301 2.9061 2.9061 2 2 4.5056 3.0834 3.5584 4.641 3.6911 4.9951 7.2641 7.2641 8.6671 8.6671 4.666 2.9132 2.9132 1.4643 1.4643 2.377 -2.623 0.877 -0.623 -2.623 2.377 2.377 3.243 1.877 0.377 -0.623 0.877 -1.123 -1.123 0.377 -2.123 -1.123 -2.123 -0.623 -2.6577 -0.5884 -2.1438 -1.1022 1.7781 2.589 1.7664 3.6415 3.6415 0.567 1.497 -1.743 0.687 -0.933 -3.243 -3.2776 0.0316 -2.4559 -0.7901 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 10 10 11 12 13 14 15 17 17 18 20 21 22 13 17 16 18 11 12 14 15 16 19 19 18 21 20 22 23 23 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 526 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 00000371C07B3000000000000000000000001800000000000000306080000000000000814000001E00100000000D0881980030C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]cyclopropanecarboxamide 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]cyclopropanecarboxamide 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]cyclopropanecarboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]cyclopropanecarboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]cyclopropanecarboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]cyclopropanecarboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H15N3O2/c22-17(11-9-10-11)20-13-6-2-1-5-12(13)16-18(23)21-15-8-4-3-7-14(15)19-16/h1-8,11H,9-10H2,(H,20,22)(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ADVKTUIAFOILCW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.116426730 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H15N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC1C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC1C(=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 2021.05.07 305.116426730 23 0 0 0 0 0 0 0 1 -1