53383351 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 53 54 8 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 6 6 6 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 5 5 5 6 6 7 7 7 8 8 9 9 9 10 10 11 11 12 13 15 16 16 17 17 18 18 19 19 20 21 21 22 23 23 24 25 26 26 27 27 28 28 29 29 30 31 31 32 32 34 34 34 12 14 20 30 33 34 9 10 12 13 15 14 23 40 24 25 11 14 35 13 16 17 18 15 19 20 21 36 24 37 25 38 22 39 26 22 41 42 27 28 43 44 29 45 31 46 32 47 30 48 49 33 50 33 51 52 53 54 2 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 9 5 11 14 35 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 53 54 8.0622 4.5981 8.1667 2 6.3301 6.3301 5.4641 8.9282 6.3301 5.4641 7.1962 7.1962 5.4641 5.4641 7.1962 4.5702 7.1962 8.0622 4.5702 8.0622 3.6641 3.6641 4.5981 8.0622 8.9282 8.9757 3.732 4.5981 9.6448 9.1448 2.866 3.732 2.866 2 5.7932 4.5773 6.6592 8.0622 4.5773 6.001 3.1284 3.1284 8.0622 9.4651 9.1046 3.732 5.135 10.2615 9.397 2.3291 3.732 1.38 2 2.62 1.1488 0.1488 4.1433 -3.3512 1.1488 3.1488 -1.3512 -1.3512 0.1488 1.6488 -0.3512 1.6488 2.6488 -0.3512 2.6488 1.1141 -1.3512 0.1488 3.1834 3.1488 1.628 2.6696 -1.8512 -1.8512 -0.3512 2.742 -1.3512 -2.8512 3.4852 4.3512 -1.8512 -3.3512 -2.8512 -4.3512 0.4588 0.4942 -1.6612 0.7688 3.8034 -1.6612 1.3159 2.9817 -2.4712 -0.0412 2.1356 -0.7312 -3.1612 3.4204 4.9176 -1.5412 -3.9712 -4.3512 -4.9712 -4.3512 8 8 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 6 6 8 8 9 10 10 11 11 12 13 16 17 18 19 20 21 23 23 26 27 28 29 31 32 20 30 10 12 13 15 24 25 14 13 16 17 18 15 19 21 24 25 22 26 22 27 28 29 31 32 30 33 33 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 760 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB8000000000000000000000000000001200000003C608100000000000081F400001E00100000000C2CE19A063EC693C81440A803BD77D40482882035222008D821BE7CD80C66FECCB5BB963928E6F611C8E987B849000A00400000000000200080000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-N-(4-methoxyphenyl)-2-(4-pyridyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-<I>N</I>-(4-methoxyphenyl)-2-pyridin-4-ylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-N-(4-methoxyphenyl)-2-pyridin-4-yl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]-N-(4-methoxyphenyl)-2-(4-pyridyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C26H20N4O4/c1-33-19-10-8-18(9-11-19)28-25(31)24(17-12-14-27-15-13-17)30-21-6-3-2-5-20(21)29-23(26(30)32)22-7-4-16-34-22/h2-16,24H,1H3,(H,28,31) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QYFKFMQUVMAHSV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 452.14845513 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C26H20N4O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 452.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)NC(=O)C(C2=CC=NC=C2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)NC(=O)C(C2=CC=NC=C2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 97 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 452.14845513 34 1 0 1 0 0 0 0 1 -1