C211H223F4N17O24 — CID 159463815
N-[4-[1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-1,3-dioxopropan-2-yl]phenyl]-8-oxononanamide;N-[4-[1,3-dioxo-4-quinolin-8-yl-1-(quinolin-8-ylamino)butan-2-yl]phenyl]-9-oxodecanamide;N-[4-[1,3-dioxo-4-quinolin-8-yl-1-(quinolin-8-ylamino)butan-2-yl]phenyl]-7-oxooctanamide;N-[4-[1,3-dioxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-yl]phenyl]-8-oxononanamide;N-[4-[1-(3-fluoroanilino)-4-(3-fluorophenyl)-1,3-dioxobutan-2-yl]phenyl]-8-oxononanamide;N-[4-[1-(4-fluoroanilino)-4-(4-fluorophenyl)-1,3-dioxobutan-2-yl]phenyl]-8-oxononanamide (PubChem CID 159463815) has the molecular formula C211H223F4N17O24 and a molecular weight of 3457.19 g/mol. Its IUPAC name is N-[4-[1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-1,3-dioxopropan-2-yl]phenyl]-8-oxononanamide;N-[4-[1,3-dioxo-4-quinolin-8-yl-1-(quinolin-8-ylamino)butan-2-yl]phenyl]-9-oxodecanamide;N-[4-[1,3-dioxo-4-quinolin-8-yl-1-(quinolin-8-ylamino)butan-2-yl]phenyl]-7-oxooctanamide;N-[4-[1,3-dioxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-yl]phenyl]-8-oxononanamide;N-[4-[1-(3-fluoroanilino)-4-(3-fluorophenyl)-1,3-dioxobutan-2-yl]phenyl]-8-oxononanamide;N-[4-[1-(4-fluoroanilino)-4-(4-fluorophenyl)-1,3-dioxobutan-2-yl]phenyl]-8-oxononanamide.
| Compound Name | N-[4-[1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-1,3-dioxopropan-2-yl]phenyl]-8-oxononanamide;N-[4-[1,3-dioxo-4-quinolin-8-yl-1-(quinolin-8-ylamino)butan-2-yl]phenyl]-9-oxodecanamide;N-[4-[1,3-dioxo-4-quinolin-8-yl-1-(quinolin-8-ylamino)butan-2-yl]phenyl]-7-oxooctanamide;N-[4-[1,3-dioxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-yl]phenyl]-8-oxononanamide;N-[4-[1-(3-fluoroanilino)-4-(3-fluorophenyl)-1,3-dioxobutan-2-yl]phenyl]-8-oxononanamide;N-[4-[1-(4-fluoroanilino)-4-(4-fluorophenyl)-1,3-dioxobutan-2-yl]phenyl]-8-oxononanamide |
|---|---|
| PubChem CID | 159463815 |
| Molecular Formula | C211H223F4N17O24 |
| Molecular Weight | 3457.19 g/mol |
| Exact Mass | 3454.67 |
| IUPAC Name | N-[4-[1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-1,3-dioxopropan-2-yl]phenyl]-8-oxononanamide;N-[4-[1,3-dioxo-4-quinolin-8-yl-1-(quinolin-8-ylamino)butan-2-yl]phenyl]-9-oxodecanamide;N-[4-[1,3-dioxo-4-quinolin-8-yl-1-(quinolin-8-ylamino)butan-2-yl]phenyl]-7-oxooctanamide;N-[4-[1,3-dioxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-yl]phenyl]-8-oxononanamide;N-[4-[1-(3-fluoroanilino)-4-(3-fluorophenyl)-1,3-dioxobutan-2-yl]phenyl]-8-oxononanamide;N-[4-[1-(4-fluoroanilino)-4-(4-fluorophenyl)-1,3-dioxobutan-2-yl]phenyl]-8-oxononanamide |
| SMILES | CC(=O)CCCCCC(=O)Nc1ccc(C(C(=O)Cc2cccc3cccnc23)C(=O)Nc2cccc3cccnc23)cc1.CC(=O)CCCCCCC(=O)Nc1ccc(C(C(=O)Cc2ccc(F)cc2)C(=O)Nc2ccc(F)cc2)cc1.CC(=O)CCCCCCC(=O)Nc1ccc(C(C(=O)Cc2cccc(F)c2)C(=O)Nc2cccc(F)c2)cc1.CC(=O)CCCCCCC(=O)Nc1ccc(C(C(=O)Cc2cccc3c2CCCC3)C(=O)Nc2cccc3c2CCCC3)cc1.CC(=O)CCCCCCC(=O)Nc1ccc(C(C(=O)N2CCCc3ccccc32)C(=O)N2CCCc3ccccc32)cc1.CC(=O)CCCCCCCC(=O)Nc1ccc(C(C(=O)Cc2cccc3cccnc23)C(=O)Nc2cccc3cccnc23)cc1 |
| InChI | InChI=1S/C39H46N2O4.C38H38N4O4.C36H34N4O4.C36H41N3O4.2C31H32F2N2O4/c1-27(42)12-4-2-3-5-21-37(44)40-32-24-22-30(23-25-32)38(36(43)26-31-17-10-15-28-13-6-8-18-33(28)31)39(45)41-35-20-11-16-29-14-7-9-19-34(29)35;1-26(43)11-5-3-2-4-6-18-34(45)41-31-21-19-27(20-22-31)35(33(44)25-30-14-7-12-28-15-9-23-39-36(28)30)38(46)42-32-17-8-13-29-16-10-24-40-37(29)32;1-24(41)9-3-2-4-16-32(43)39-29-19-17-25(18-20-29)33(31(42)23-28-12-5-10-26-13-7-21-37-34(26)28)36(44)40-30-15-6-11-27-14-8-22-38-35(27)30;1-26(40)12-4-2-3-5-19-33(41)37-30-22-20-29(21-23-30)34(35(42)38-24-10-15-27-13-6-8-17-31(27)38)36(43)39-25-11-16-28-14-7-9-18-32(28)39;1-21(36)8-4-2-3-5-13-29(38)34-26-16-14-23(15-17-26)30(28(37)19-22-9-6-10-24(32)18-22)31(39)35-27-12-7-11-25(33)20-27;1-21(36)6-4-2-3-5-7-29(38)34-26-16-10-23(11-17-26)30(28(37)20-22-8-12-24(32)13-9-22)31(39)35-27-18-14-25(33)15-19-27/h10-11,15-17,20,22-25,38H,2-9,12-14,18-19,21,26H2,1H3,(H,40,44)(H,41,45);7-10,12-17,19-24,35H,2-6,11,18,25H2,1H3,(H,41,45)(H,42,46);5-8,10-15,17-22,33H,2-4,9,16,23H2,1H3,(H,39,43)(H,40,44);6-9,13-14,17-18,20-23,34H,2-5,10-12,15-16,19,24-25H2,1H3,(H,37,41);6-7,9-12,14-18,20,30H,2-5,8,13,19H2,1H3,(H,34,38)(H,35,39);8-19,30H,2-7,20H2,1H3,(H,34,38)(H,35,39) |
| InChIKey | LUXRBGFYEKRMHC-UHFFFAOYSA-N |
| XLogP | 41.55 |
| TPSA | 600.05 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 81 |
| Heavy Atoms | 256 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3457.19 |
| LogP ≤ 5 | 41.55 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'} |
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