67231173 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 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 2 2 2 3 3 4 4 5 6 6 8 8 8 9 9 10 10 11 11 12 12 13 14 14 15 15 16 16 17 17 18 18 19 20 20 7 4 7 8 5 6 5 10 11 7 9 16 21 22 14 15 12 23 13 24 13 25 26 17 27 18 28 20 29 19 30 19 31 32 33 34 2 1 1 1 1 2 1 2 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 2 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 6.3981 4.666 4.666 3.8 3.8 5.5321 5.5321 4.666 6.3981 2.9061 2.9061 2 2 7.2641 6.3981 3.8 8.1301 7.2641 8.1301 3.8 4.8781 5.2766 2.9132 2.9132 1.4643 1.4643 7.2641 5.8612 3.2631 8.6671 7.2641 8.6671 3.2631 4.3369 -0.5 -0.5 1.5 -0 1 1 0 -1.5 1.5 -0.5347 1.5347 -0.0208 1.0208 1 2.5 -2 1.5 3 2.5 -3 -2.0826 -1.3923 -1.1546 2.1546 -0.3329 1.3329 0.38 2.81 -1.69 1.19 3.62 2.81 -3.31 -3.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 5 6 9 9 10 11 12 14 15 17 18 4 7 5 6 5 10 11 7 14 15 12 13 13 17 18 19 19 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 409 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 00000371C07B2000000000000000000000000000000000000000306080000000000000814000001E00000000000C08C1980430C083000000A803257254008200002102000888012874980860B2C09591942008608600C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-allyl-3-phenyl-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-phenyl-1-prop-2-enyl-2-quinoxalinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-phenyl-1-prop-2-enylquinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-phenyl-1-prop-2-enylquinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-phenyl-1-prop-2-enyl-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-allyl-3-phenyl-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H14N2O/c1-2-12-19-15-11-7-6-10-14(15)18-16(17(19)20)13-8-4-3-5-9-13/h2-11H,1,12H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HUDHULRMZYNDDX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.110613074 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H14N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.30 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C=CCN1C2=CC=CC=C2N=C(C1=O)C3=CC=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C=CCN1C2=CC=CC=C2N=C(C1=O)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 32.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.110613074 20 0 0 0 0 0 0 0 1 -1