67229618 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 8 8 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 2 2 3 3 3 4 4 5 5 6 6 6 7 8 9 10 10 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 19 19 20 8 12 34 5 6 8 7 9 7 10 12 21 22 13 9 11 14 23 16 17 24 25 15 26 15 27 28 18 29 19 30 20 31 20 32 33 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 1 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 6.3981 3.8 4.666 4.666 3.8 4.666 3.8 5.5321 5.5321 2.9061 6.3981 3.8 2.9061 2 2 7.2641 6.3981 8.1301 7.2641 8.1301 4.8781 5.2766 2.9132 3.588 3.1894 2.9132 1.4643 1.4643 7.2641 5.8612 8.6671 7.2641 8.6671 3.2631 -0.345 -2.845 -0.345 1.655 0.155 -1.345 1.155 0.155 1.155 -0.3797 1.655 -1.845 1.6897 0.1342 1.1758 1.155 2.655 1.655 3.155 2.655 -1.9276 -1.2373 -0.9996 -1.2624 -1.9527 2.3096 -0.1779 1.4879 0.535 2.965 1.345 3.775 2.965 -3.155 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 7 8 10 11 11 13 14 16 17 18 19 5 8 7 9 7 10 13 9 14 16 17 15 15 18 19 20 20 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 388 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B3000000000000000000000000000000000000000306080000000000000814000001E00000800000C08E1980630C083000200A803257254008200002102000888012874980A70B2C09591942008608600D8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-hydroxyethyl)-3-phenyl-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-hydroxyethyl)-3-phenyl-2-quinoxalinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-hydroxyethyl)-3-phenylquinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-hydroxyethyl)-3-phenylquinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-hydroxyethyl)-3-phenyl-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-hydroxyethyl)-3-phenyl-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H14N2O2/c19-11-10-18-14-9-5-4-8-13(14)17-15(16(18)20)12-6-2-1-3-7-12/h1-9,19H,10-11H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SXXGOOBOAMKLGI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 266.105527694 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H14N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 266.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N(C2=O)CCO SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=NC3=CC=CC=C3N(C2=O)CCO Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 52.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 266.105527694 20 0 0 0 0 0 0 0 1 -1