3163691 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 9 9 10 12 12 13 13 14 14 15 16 16 17 17 18 18 19 19 19 20 21 22 22 22 11 21 6 11 23 7 8 10 21 33 8 12 9 11 14 10 16 17 13 24 15 19 15 25 26 18 27 20 28 20 29 30 31 32 34 22 35 36 37 2 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 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 7.2622 7.2622 5.5301 5.5301 6.3961 4.6641 6.3961 4.6641 7.2622 7.2622 6.3961 3.7702 2.8641 3.7702 2.8641 8.1282 8.1282 8.9942 2 8.9942 6.3961 5.5301 5.5301 3.7773 3.7773 2.3284 8.1282 8.1282 9.5312 1.6879 1.4643 2.3121 5.8592 9.5312 5.8401 4.9932 5.2201 -2.19 2.81 -2.19 -0.19 1.31 -1.69 -0.69 -0.69 -0.19 0.81 -1.69 -2.2247 -1.7108 -0.1553 -0.6692 -0.69 1.31 -0.19 -2.2142 0.81 2.31 2.81 -2.81 -2.8446 0.4646 -0.3571 -1.31 1.93 -0.5 -1.6784 -2.5262 -2.7499 1 1.12 3.3469 3.12 2.2731 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 9 9 10 12 13 14 16 17 18 6 11 7 8 8 12 11 14 10 16 17 13 15 15 18 20 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 2 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 00000371C07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E08000040000200201000008000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(6-methyl-3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(6-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-keto-6-methyl-4H-quinoxalin-2-yl)phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H15N3O2/c1-10-7-8-14-15(9-10)20-17(22)16(19-14)12-5-3-4-6-13(12)18-11(2)21/h3-9H,1-2H3,(H,18,21)(H,20,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IJXKGLCYBMQRFF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 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 CC1=CC2=C(C=C1)N=C(C(=O)N2)C3=CC=CC=C3NC(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1)N=C(C(=O)N2)C3=CC=CC=C3NC(=O)C 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 2021.05.07 293.116426730 22 0 0 0 0 0 0 0 1 -1