16009244 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 60 61 8 8 8 8 8 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 1 1 1 2 2 3 4 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 12 12 12 14 14 15 15 16 17 18 19 19 21 21 21 22 22 23 23 24 25 26 26 26 27 27 28 28 28 29 29 30 30 31 31 31 32 33 33 34 35 35 35 13 17 31 16 20 32 35 8 11 12 20 27 44 9 14 13 15 11 13 16 38 20 36 37 18 39 17 40 19 18 41 22 23 24 25 26 24 42 25 43 45 46 28 47 48 29 30 49 50 51 32 52 33 53 54 55 56 34 34 57 58 59 60 61 2 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 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 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 6.3981 2.868 8.1301 8.1301 8.9962 6.3981 7.2641 5.532 5.532 7.2641 7.2641 6.3981 6.3981 4.6381 4.6381 8.1301 3.732 3.732 8.9962 7.2641 10.7282 8.9962 9.8622 9.8622 10.7282 11.5942 8.1301 12.4602 8.1301 8.9962 2 8.9962 9.8622 9.8622 9.8622 5.7875 6.186 7.801 4.6453 4.6453 3.1963 8.4592 9.8622 6.7272 9.8622 11.2651 11.1957 11.9928 12.7703 12.9972 12.1502 7.5932 8.9962 1.6921 1.4619 2.3079 10.3991 10.3991 9.5522 10.3991 10.1722 4.5 3.5242 4.5 0.5 -4 1.5 -1 2 3 3 2 0.5 3.5 1.4653 3.5347 3.5 3.0208 1.9792 3 0 2 2 3.5 1.5 3 1.5 -1.5 2 -2.5 -1 3.0275 -3 -1.5 -2.5 -4.5 0.6077 -0.0826 1.69 0.8454 4.1546 1.6671 1.69 4.12 -1.31 0.88 3.31 1.025 1.025 1.4631 2.31 2.5369 -2.81 -0.38 3.5656 2.7196 2.4894 -1.19 -2.81 -5.0369 -4.81 -3.9631 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 8 9 9 10 10 14 15 17 19 19 21 21 22 23 27 27 29 30 32 33 8 11 9 14 13 15 11 13 18 17 18 22 23 24 25 24 25 29 30 32 33 34 34 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 803 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B38000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0CC1980632C683C004008802A55650008208002522000888018E6CC80C663ACCB5BB9431A866D419C8E9C7BAD9F39E40400102000200008080020400040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[3-(4-ethylbenzoyl)-6-methoxy-4-oxo-1-quinolyl]-N-(3-methoxyphenyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[3-[(4-ethylphenyl)-oxomethyl]-6-methoxy-4-oxo-1-quinolinyl]-N-(3-methoxyphenyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[3-(4-ethylbenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-<I>N</I>-(3-methoxyphenyl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[3-(4-ethylbenzoyl)-6-methoxy-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[3-(4-ethylphenyl)carbonyl-6-methoxy-4-oxidanylidene-quinolin-1-yl]-N-(3-methoxyphenyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[3-(4-ethylbenzoyl)-4-keto-6-methoxy-1-quinolyl]-N-(3-methoxyphenyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C28H26N2O5/c1-4-18-8-10-19(11-9-18)27(32)24-16-30(25-13-12-22(35-3)15-23(25)28(24)33)17-26(31)29-20-6-5-7-21(14-20)34-2/h5-16H,4,17H2,1-3H3,(H,29,31) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DVTPCRCVITUEFU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 470.18417193 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C28H26N2O5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 470.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=CC=C(C=C1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)OC)CC(=O)NC4=CC(=CC=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=CC=C(C=C1)C(=O)C2=CN(C3=C(C2=O)C=C(C=C3)OC)CC(=O)NC4=CC(=CC=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 84.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 470.18417193 35 0 0 0 0 0 0 0 1 -1