67230640 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 38 39 40 41 42 43 44 45 46 47 8 7 7 7 6 6 6 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 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 10 11 12 13 13 13 14 14 14 15 15 16 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 10 5 7 8 6 9 10 11 12 6 25 26 27 28 13 29 30 14 31 32 11 15 12 17 16 33 34 35 36 37 38 18 39 20 21 19 40 19 41 42 22 43 23 44 24 45 24 46 47 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 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 35 36 37 38 39 40 41 42 43 44 45 46 47 6.3981 5.5321 4.666 4.666 5.5321 4.666 6.3981 4.666 3.8 5.5321 3.8 5.5321 6.3981 4.666 2.9061 6.3981 2.9061 2 2 7.2641 6.3981 8.1301 7.2641 8.1301 6.1426 5.7441 4.0555 4.454 7.0087 6.6101 4.454 4.0555 5.7781 6.3981 7.0181 4.046 4.666 5.286 2.9132 2.9132 1.4643 1.4643 7.2641 5.8612 8.6671 7.2641 8.6671 0.25 -2.25 0.25 2.25 -1.25 -0.75 -2.75 -2.75 0.75 0.75 1.75 1.75 -3.75 -3.75 0.2153 2.25 2.2847 0.7292 1.7708 1.75 3.25 2.25 3.75 3.25 -1.3577 -0.6674 -0.6423 -1.3326 -2.8577 -2.1674 -2.1674 -2.8577 -3.75 -4.37 -3.75 -3.75 -4.37 -3.75 -0.4046 2.9046 0.4171 2.0829 1.13 3.56 1.94 4.37 3.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 9 9 10 11 15 16 16 17 18 20 21 22 23 9 10 11 12 11 15 12 17 18 20 21 19 19 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 452 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B2000000000000000000000000000000000000000306080000000000000814000001E00000000000C08C1980432C083000000A803257254008200002102000888012874980860B2C09591942008608600C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(diethylamino)ethyl]-3-phenyl-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(diethylamino)ethyl]-3-phenyl-2-quinoxalinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(diethylamino)ethyl]-3-phenylquinoxalin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(diethylamino)ethyl]-3-phenylquinoxalin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(diethylamino)ethyl]-3-phenyl-quinoxalin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(diethylamino)ethyl]-3-phenyl-quinoxalin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H23N3O/c1-3-22(4-2)14-15-23-18-13-9-8-12-17(18)21-19(20(23)24)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JLIBLRLIARRTQY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.184112366 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H23N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CCN1C2=CC=CC=C2N=C(C1=O)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CCN1C2=CC=CC=C2N=C(C1=O)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 35.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.184112366 24 0 0 0 0 0 0 0 1 -1