7187734 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 6 7 8 9 9 10 12 12 12 12 13 13 14 14 16 16 17 17 18 18 19 19 20 21 21 22 23 23 24 24 25 25 26 26 27 11 15 8 15 30 9 11 32 7 10 7 8 13 11 14 10 17 19 15 16 28 29 18 31 20 33 23 24 21 34 20 35 22 36 37 22 38 39 25 40 26 41 27 42 27 43 44 2 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 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 41 42 43 44 6.3981 6.3981 5.5321 4.666 4.666 6.3981 5.5321 6.3981 3.8 3.8 5.5321 4.666 7.2641 7.2641 5.5321 4.666 2.9061 8.1301 2.9061 8.1301 2 2 5.5321 3.8 5.5321 3.8 4.666 4.0555 4.454 4.9951 7.2641 4.666 7.2641 2.9132 8.6671 2.9132 8.6671 1.4643 1.4643 6.069 3.2631 6.069 3.2631 4.666 -3.69 1.31 -0.19 -3.69 -1.69 -1.69 -2.19 -0.69 -3.19 -2.19 -3.19 1.31 -2.19 -0.19 0.81 2.31 -3.7247 -1.69 -1.6553 -0.69 -3.2108 -2.1692 2.81 2.81 3.81 3.81 4.31 1.4177 0.7274 -0.5 -2.81 -4.31 0.43 -4.3446 -2 -1.0354 -0.38 -3.5229 -1.8571 2.5 2.5 4.12 4.12 4.93 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 8 9 9 10 13 14 16 16 17 18 19 21 23 24 25 26 9 11 7 10 8 13 11 14 10 17 19 18 20 23 24 21 20 22 22 25 26 27 27 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 582 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0881980030C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-phenyl-acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-phenylacetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]-2-phenylacetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-phenylacetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]-2-phenyl-ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]-2-phenyl-acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H17N3O2/c26-20(14-15-8-2-1-3-9-15)23-17-11-5-4-10-16(17)21-22(27)25-19-13-7-6-12-18(19)24-21/h1-13H,14H2,(H,23,26)(H,25,27) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SPHCXXYRSVQGRQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 355.132076794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H17N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 355.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 70.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 355.132076794 27 0 0 0 0 0 0 0 1 -1