44224686 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 4 5 5 5 6 6 7 7 8 9 10 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 19 19 20 8 4 7 8 9 10 5 6 21 6 22 23 24 25 9 11 10 12 13 14 26 15 27 16 17 15 28 29 18 30 19 31 20 32 20 33 34 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 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 4.666 4.666 4.666 4.166 5.166 3.8 5.5321 3.8 5.5321 2.9061 2.9061 6.3981 2 2 6.3981 7.2641 7.2641 8.1301 8.1301 5.2649 3.5834 4.0584 5.2737 5.7486 2.9132 2.9132 1.4643 1.4643 5.8612 7.2641 7.2641 8.6671 8.6671 -0.817 -0.817 1.183 -1.817 -2.683 -2.683 -0.317 -0.317 0.683 0.683 -0.8516 1.2177 1.183 -0.3378 0.7038 2.183 0.683 2.683 1.183 2.183 -1.6565 -2.471 -3.2936 -3.2936 -2.471 -1.4716 1.8376 -0.6499 1.0159 2.493 0.063 3.303 0.873 2.493 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 7 7 8 9 11 12 13 13 14 16 17 18 19 7 8 9 10 9 11 10 12 14 15 16 17 15 18 19 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 421 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B2000000000000000000000001800000000000000306080000000000000814000001E00000000000C28C1980430C083000000A803257254008200002102000888012874980860B2C09591942008608600C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclopropyl-3-phenyl-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclopropyl-3-phenyl-2-quinoxalinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclopropyl-3-phenylquinoxalin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclopropyl-3-phenylquinoxalin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclopropyl-3-phenyl-quinoxalin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclopropyl-3-phenyl-quinoxalin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H14N2O/c20-17-16(12-6-2-1-3-7-12)18-14-8-4-5-9-15(14)19(17)13-10-11-13/h1-9,13H,10-11H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HPYXGTPLUYLONC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 262.110613074 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H14N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 262.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC1N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC1N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 32.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 262.110613074 20 0 0 0 0 0 0 0 1 -1