C126H110Cl2F6N14O18 — CID 161122587
6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-[4-chloro-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide;6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide (PubChem CID 161122587) has the molecular formula C126H110Cl2F6N14O18 and a molecular weight of 2293.24 g/mol. Its IUPAC name is 6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-[4-chloro-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide;6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide.
| Compound Name | 6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-[4-chloro-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide;6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide |
|---|---|
| PubChem CID | 161122587 |
| Molecular Formula | C126H110Cl2F6N14O18 |
| Molecular Weight | 2293.24 g/mol |
| Exact Mass | 2290.74 |
| IUPAC Name | 6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-[4-chloro-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide;6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide |
| SMILES | COc1cc2c(Oc3ccc4c(C(=O)Nc5cc(C)on5)cccc4c3)ccnc2cc1OCC1(N(C)C)CC1.COc1cc2c(Oc3ccc4c(C(=O)Nc5cc(C)on5)cccc4c3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc4c(C(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)cccc4c3)ccnc2cc1OCC1(N(C)C)CC1.COc1cc2c(Oc3ccc4c(C(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)cccc4c3)ccnc2cc1OCC1(N)CC1 |
| InChI | InChI=1S/C34H29ClF3N3O4.C32H25ClF3N3O4.C31H30N4O5.C29H26N4O5/c1-41(2)33(12-13-33)19-44-31-18-28-25(17-30(31)43-3)29(11-14-39-28)45-22-8-9-23-20(15-22)5-4-6-24(23)32(42)40-21-7-10-27(35)26(16-21)34(36,37)38;1-41-28-15-23-26(16-29(28)42-17-31(37)10-11-31)38-12-9-27(23)43-20-6-7-21-18(13-20)3-2-4-22(21)30(40)39-19-5-8-25(33)24(14-19)32(34,35)36;1-19-14-29(34-40-19)33-30(36)23-7-5-6-20-15-21(8-9-22(20)23)39-26-10-13-32-25-17-28(27(37-4)16-24(25)26)38-18-31(11-12-31)35(2)3;1-17-12-27(33-38-17)32-28(34)21-5-3-4-18-13-19(6-7-20(18)21)37-24-8-11-31-23-15-26(25(35-2)14-22(23)24)36-16-29(30)9-10-29/h4-11,14-18H,12-13,19H2,1-3H3,(H,40,42);2-9,12-16H,10-11,17,37H2,1H3,(H,39,40);5-10,13-17H,11-12,18H2,1-4H3,(H,33,34,36);3-8,11-15H,9-10,16,30H2,1-2H3,(H,32,33,34) |
| InChIKey | ULDJEJASWGYFCO-UHFFFAOYSA-N |
| XLogP | 28.39 |
| TPSA | 389.30 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2293.24 |
| LogP ≤ 5 | 28.39 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 28 |