658225 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 8 7 7 7 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 2 2 3 3 4 4 4 5 5 6 6 7 7 8 10 11 11 12 12 12 13 13 14 14 15 15 16 16 17 18 18 19 20 20 20 9 5 9 12 6 8 10 20 31 8 11 7 9 10 14 13 15 16 21 22 23 24 17 25 18 26 19 27 17 28 29 19 30 32 33 34 35 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 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 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 2.9132 4.046 4.666 5.286 2.9132 7.2641 7.2641 1.4643 1.4643 8.6671 4.9951 8.6671 6.1521 5.5321 4.9121 -1.75 -1.75 0.25 1.75 -1.25 -0.25 0.25 -0.25 -1.25 1.25 -1.7847 -2.75 0.2847 -0.25 1.75 -1.2708 -0.2292 0.25 1.25 2.75 -2.4046 -2.75 -3.37 -2.75 0.9046 -0.87 2.37 -1.5829 0.0829 -0.06 1.44 1.56 2.75 3.37 2.75 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 6 7 7 8 10 11 13 14 15 16 18 5 9 6 8 8 11 9 10 14 13 15 16 17 18 19 17 19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 407 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 00000371C07B2000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980432C083C00000A803257254008200002102000888812874980860B2C09591942008609600C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-[2-(methylamino)phenyl]quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-[2-(methylamino)phenyl]-2-quinoxalinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-[2-(methylamino)phenyl]quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-[2-(methylamino)phenyl]quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-[2-(methylamino)phenyl]quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-[2-(methylamino)phenyl]quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H15N3O/c1-17-12-8-4-3-7-11(12)15-16(20)19(2)14-10-6-5-9-13(14)18-15/h3-10,17H,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OMIWXYUXARPHEI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 265.121512110 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H15N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 265.31 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CNC1=CC=CC=C1C2=NC3=CC=CC=C3N(C2=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CNC1=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 44.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 265.121512110 20 0 0 0 0 0 0 0 1 -1