53383348 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 55 56 57 58 59 8 8 8 8 8 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 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 3 3 4 4 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 14 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 23 24 26 26 27 27 28 28 29 29 30 30 31 32 32 33 33 35 35 35 36 36 36 12 13 20 31 25 35 34 36 9 10 12 14 15 13 26 42 11 13 37 14 16 17 18 15 19 20 21 38 22 39 23 40 24 41 27 24 43 25 44 25 45 46 28 29 30 47 32 48 33 49 31 50 51 34 52 34 53 54 55 56 57 58 59 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 2 1 1 1 2 2 1 2 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 9 6 11 13 37 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 55 56 57 58 59 8.0622 4.5981 8.1667 9.7942 2 6.3301 6.3301 5.4641 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 8.0622 8.9282 3.6641 8.9282 4.5981 8.9757 4.5981 3.732 9.6448 9.1448 3.732 2.866 2.866 9.7942 2 5.7932 4.5773 6.6592 8.0622 4.5773 6.001 3.1284 8.0622 9.4651 3.1284 9.1046 5.135 3.732 10.2615 9.397 3.732 2.3291 9.1742 9.7942 10.4142 1.38 2 2.62 1.1488 0.1488 4.1433 -1.8512 -3.3512 1.1488 3.1488 -1.3512 0.1488 1.6488 -0.3512 1.6488 -0.3512 2.6488 2.6488 1.1141 -1.3512 0.1488 3.1834 3.1488 1.628 -1.8512 -0.3512 2.6696 -1.3512 -1.8512 2.742 -2.8512 -1.3512 3.4852 4.3512 -3.3512 -1.8512 -2.8512 -2.8512 -4.3512 0.4588 0.4942 -1.6612 0.7688 3.8034 -1.6612 1.3159 -2.4712 -0.0412 2.9817 2.1356 -3.1612 -0.7312 3.4204 4.9176 -3.9712 -1.5412 -2.8512 -3.4712 -2.8512 -4.3512 -4.9712 -4.3512 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 8 8 3 3 6 6 7 7 9 10 10 11 11 12 14 16 17 18 19 20 21 22 23 26 26 27 28 29 30 32 33 20 31 10 12 14 15 13 14 16 17 18 15 19 21 22 23 24 27 24 25 25 28 29 30 32 33 31 34 34 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 803 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B38000000000000000000000000000001200000003060C100000000000081D400001E00100000000C2CE1980632C683C00440A803AD72D404820800252200088801AE7CD80C66BECCB5BB963928E6F611C8E987B8D8838E20400000000000204080000000000040000000000000 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,2-bis(4-methoxyphenyl)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,2-bis(4-methoxyphenyl)acetamide 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>,2-bis(4-methoxyphenyl)acetamide 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,2-bis(4-methoxyphenyl)acetamide 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,2-bis(4-methoxyphenyl)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,2-bis(4-methoxyphenyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C28H23N3O5/c1-34-20-13-9-18(10-14-20)26(27(32)29-19-11-15-21(35-2)16-12-19)31-23-7-4-3-6-22(23)30-25(28(31)33)24-8-5-17-36-24/h3-17,26H,1-2H3,(H,29,32) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 AFWYPFVOZWTPKH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 481.16377084 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C28H23N3O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 481.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)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)C(C(=O)NC2=CC=C(C=C2)OC)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 93.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 481.16377084 36 1 0 1 0 0 0 0 1 -1