53383342 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 48 49 50 51 52 8 8 8 7 7 7 7 6 6 6 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 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 9 11 11 12 12 13 13 13 14 14 14 15 15 15 16 17 18 19 19 20 20 21 21 22 22 23 24 24 25 26 27 28 28 29 29 30 10 16 23 30 9 12 16 8 10 32 17 18 26 27 13 14 15 10 11 31 20 21 17 19 33 34 35 36 37 38 39 40 41 18 22 23 24 42 26 43 27 44 25 45 28 25 46 47 48 49 29 50 30 51 52 2 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 9 4 10 11 31 3 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 48 49 50 51 52 2.934 6.3981 6.5026 4.666 3.8 4.666 7.2641 2.934 4.666 3.8 5.5321 3.8 2.068 3.434 2.434 5.5321 3.8 5.5321 2.9061 6.3981 5.5321 2.9061 6.3981 2 2 7.2641 6.3981 7.3116 7.9808 7.4808 4.1291 4.3369 1.758 1.531 2.378 2.897 3.744 3.9709 2.9709 2.124 1.897 2.9132 6.3981 4.9951 2.9132 1.4643 1.4643 7.801 6.3981 7.4405 8.5974 7.7329 -0.6682 0.3318 3.3263 0.3318 -2.1682 2.3318 -2.1682 -2.6682 -0.6682 -1.1682 -1.1682 0.8318 -3.1682 -3.5342 -1.8022 0.8318 1.8318 1.8318 0.2971 -0.6682 -2.1682 2.3665 2.3318 0.811 1.8526 -1.1682 -2.6682 1.9251 2.6682 3.5342 -0.3582 -2.4782 -2.6313 -3.4782 -3.7051 -3.8442 -4.0712 -3.2242 -1.4922 -1.2652 -2.1122 -0.3228 -0.0482 -2.4782 2.9864 0.4989 2.1647 -0.8582 -3.2882 1.3186 2.6034 4.1006 8 8 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 7 7 9 11 11 12 12 16 17 19 20 21 22 23 24 28 29 23 30 12 16 17 18 26 27 10 20 21 17 19 18 22 24 26 27 25 28 25 29 30 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 680 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0000000000000000000000000000001200000003C408000000000000081F000001E00100000000CACE19A063EC493C81440A803BD77D40482882035222008D821BE7CD80C66FECCB5BB963928E6F611C8E9879849000A00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-tert-butyl-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-2-(4-pyridyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-tert-butyl-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-2-pyridin-4-ylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-<I>tert</I>-butyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-tert-butyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-tert-butyl-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-2-pyridin-4-yl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-tert-butyl-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]-2-(4-pyridyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H22N4O3/c1-23(2,3)26-21(28)20(15-10-12-24-13-11-15)27-17-8-5-4-7-16(17)25-19(22(27)29)18-9-6-14-30-18/h4-14,20H,1-3H3,(H,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GBBNXTIYVNUIFC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 402.16919058 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H22N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 402.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)(C)NC(=O)C(C1=CC=NC=C1)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)(C)NC(=O)C(C1=CC=NC=C1)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 87.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 402.16919058 30 1 0 1 0 0 0 0 1 -1