51180405 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 8 8 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 1 1 1 2 3 4 4 4 5 5 5 6 6 7 7 7 8 9 11 11 12 12 13 13 14 15 15 16 17 17 18 18 19 19 20 21 21 21 22 22 22 14 21 9 10 6 7 9 8 10 25 8 12 10 23 24 13 11 14 17 15 26 16 27 18 16 28 29 19 30 20 31 20 32 33 22 34 35 36 37 38 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 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 35 36 37 38 6.3981 3.8 6.3981 4.666 4.666 3.8 5.5321 3.8 4.666 5.5321 5.5321 2.9061 2.9061 6.3981 2 2 5.5321 7.2641 6.3981 7.2641 7.2641 8.1301 5.7441 6.1426 4.666 2.9132 2.9132 1.4643 1.4643 4.9951 7.801 6.3981 7.801 7.6626 6.8656 7.8201 8.6671 8.4401 0.19 -1.31 2.19 0.19 2.19 0.69 0.69 1.69 -0.81 1.69 -1.31 0.1553 2.2247 -0.81 0.6692 1.7108 -2.31 -1.31 -2.81 -2.31 0.69 0.19 0.1074 0.7977 2.81 -0.4646 2.8446 0.3571 2.0229 -2.62 -1 -3.43 -2.62 1.165 1.165 -0.3469 -0.12 0.7269 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 11 11 12 13 14 15 17 18 19 8 12 13 14 17 15 16 18 16 19 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 426 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 00000371E07B30000000000000000000000000000000000000003C6080000000000000B14000001E00100000000C0CE1980632C683C004008802255250008208002522000888018E7CC80C6636C4B5BB963968E6F611C8E98798C8208E00000000000800200000000000100040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2-ethoxybenzoyl)-1,3-dihydroquinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[(2-ethoxyphenyl)-oxomethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2-ethoxybenzoyl)-1,3-dihydroquinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2-ethoxybenzoyl)-1,3-dihydroquinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2-ethoxyphenyl)carbonyl-1,3-dihydroquinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2-ethoxybenzoyl)-1,3-dihydroquinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H16N2O3/c1-2-22-15-10-6-3-7-12(15)17(21)19-11-16(20)18-13-8-4-5-9-14(13)19/h3-10H,2,11H2,1H3,(H,18,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AUDPUTJWVBKQJP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.11609238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H16N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.32 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1C(=O)N2CC(=O)NC3=CC=CC=C32 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1C(=O)N2CC(=O)NC3=CC=CC=C32 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 58.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 296.11609238 22 0 0 0 0 0 0 0 1 -1