C194H165N37O32 — CID 158355552
1-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[4-(isoquinolin-3-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide;3-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;3-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-propan-2-ylbenzamide;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 158355552) has the molecular formula C194H165N37O32 and a molecular weight of 3526.68 g/mol. Its IUPAC name is 1-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[4-(isoquinolin-3-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide;3-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;3-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-propan-2-ylbenzamide;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide.
| Compound Name | 1-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[4-(isoquinolin-3-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide;3-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;3-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-propan-2-ylbenzamide;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide |
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| PubChem CID | 158355552 |
| Molecular Formula | C194H165N37O32 |
| Molecular Weight | 3526.68 g/mol |
| Exact Mass | 3524.24 |
| IUPAC Name | 1-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-(2-methoxyquinolin-3-yl)urea;4-[4-(isoquinolin-3-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide;3-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;3-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]-N-propan-2-ylbenzamide;4-[3-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;4-[4-[(2-methoxyquinolin-3-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide |
| SMILES | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc4ccccc4cn3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc4ccccc4nc3OC)cc2)ccn1.CNC(=O)c1cc(Oc2cccc(NC(=O)Nc3cc4ccccc4nc3OC)c2)ccn1.CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc4ccccc4nc3OC)cc2)c1.COc1nc2ccccc2cc1NC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1.COc1nc2ccccc2cc1NC(=O)Nc1ccc(Oc2cccc(C(=O)NC(C)C)c2)cc1.COc1nc2ccccc2cc1NC(=O)Nc1ccc(Oc2ccnc(C(N)=O)c2)cc1.COc1nc2ccccc2cc1NC(=O)Nc1cccc(Oc2ccnc(C(N)=O)c2)c1 |
| InChI | InChI=1S/C27H26N4O4.C25H18N4O5.C25H22N4O4.2C24H21N5O4.2C23H19N5O4.C23H19N5O3/c1-17(2)28-25(32)19-8-6-9-22(15-19)35-21-13-11-20(12-14-21)29-27(33)31-24-16-18-7-4-5-10-23(18)30-26(24)34-3;1-33-24-21(12-14-4-2-3-5-20(14)27-24)28-25(32)26-15-6-8-16(9-7-15)34-17-10-11-18-19(13-17)23(31)29-22(18)30;1-26-23(30)17-7-5-8-20(14-17)33-19-12-10-18(11-13-19)27-25(31)29-22-15-16-6-3-4-9-21(16)28-24(22)32-2;1-25-22(30)20-14-18(10-11-26-20)33-17-8-5-7-16(13-17)27-24(31)29-21-12-15-6-3-4-9-19(15)28-23(21)32-2;1-25-22(30)20-14-18(11-12-26-20)33-17-9-7-16(8-10-17)27-24(31)29-21-13-15-5-3-4-6-19(15)28-23(21)32-2;1-31-22-20(11-14-5-2-3-8-18(14)27-22)28-23(30)26-15-6-4-7-16(12-15)32-17-9-10-25-19(13-17)21(24)29;1-31-22-20(12-14-4-2-3-5-18(14)27-22)28-23(30)26-15-6-8-16(9-7-15)32-17-10-11-25-19(13-17)21(24)29;1-24-22(29)20-13-19(10-11-25-20)31-18-8-6-17(7-9-18)27-23(30)28-21-12-15-4-2-3-5-16(15)14-26-21/h4-17H,1-3H3,(H,28,32)(H2,29,31,33);2-13H,1H3,(H2,26,28,32)(H,29,30,31);3-15H,1-2H3,(H,26,30)(H2,27,29,31);2*3-14H,1-2H3,(H,25,30)(H2,27,29,31);2*2-13H,1H3,(H2,24,29)(H2,26,28,30);2-14H,1H3,(H,24,29)(H2,26,27,28,30) |
| InChIKey | GSVFKGVZWZNGFM-UHFFFAOYSA-N |
| XLogP | 37.06 |
| TPSA | 912.91 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 263 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3526.68 |
| LogP ≤ 5 | 37.06 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 45 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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