3264784 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 8 8 7 7 7 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 7 7 8 8 9 11 12 12 13 13 13 14 14 15 15 16 16 17 17 18 19 19 20 21 22 22 22 10 21 6 10 13 7 9 11 21 33 9 12 8 10 11 15 14 16 17 23 24 25 26 18 28 19 27 20 29 18 30 31 20 32 34 22 35 36 37 2 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 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 6.3981 6.3981 4.666 4.666 5.5321 3.8 5.5321 6.3981 3.8 5.5321 6.3981 2.9061 4.666 2.9061 7.2641 7.2641 2 2 8.1301 8.1301 5.5321 4.666 2.9132 4.046 4.666 5.286 7.2641 2.9132 7.2641 1.4643 1.4643 8.6671 4.9951 8.6671 4.976 4.1291 4.356 -2 3 -2 -0 1.5 -1.5 -0.5 0 -0.5 -1.5 1 -2.0347 -3 0.0347 -0.5 1.5 -1.5208 -0.4792 0 1 2.5 3 -2.6546 -3 -3.62 -3 -1.12 0.6546 2.12 -1.8329 -0.1671 -0.31 1.19 1.31 3.5369 3.31 2.4631 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 7 8 8 9 11 12 14 15 16 17 19 6 10 7 9 9 12 10 11 15 14 16 17 18 19 20 18 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 488 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980432C083C00000A803257254008200002102000888012874980860B2C09591942008609600C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-methyl-3-oxo-quinoxalin-2-yl)phenyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-methyl-3-oxo-2-quinoxalinyl)phenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(4-methyl-3-oxoquinoxalin-2-yl)phenyl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-methyl-3-oxoquinoxalin-2-yl)phenyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-methyl-3-oxidanylidene-quinoxalin-2-yl)phenyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-keto-4-methyl-quinoxalin-2-yl)phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H15N3O2/c1-11(21)18-13-8-4-3-7-12(13)16-17(22)20(2)15-10-6-5-9-14(15)19-16/h3-10H,1-2H3,(H,18,21) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BLTDXASXGYGFHA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.116426730 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H15N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.32 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N(C2=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N(C2=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 61.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 293.116426730 22 0 0 0 0 0 0 0 1 -1