C129H103F3N18O3 — CID 159926831
3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]phenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(2-methylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-propan-2-ylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine (PubChem CID 159926831) has the molecular formula C129H103F3N18O3 and a molecular weight of 2010.36 g/mol. Its IUPAC name is 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]phenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(2-methylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-propan-2-ylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine.
| Compound Name | 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]phenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(2-methylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-propan-2-ylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine |
|---|---|
| PubChem CID | 159926831 |
| Molecular Formula | C129H103F3N18O3 |
| Molecular Weight | 2010.36 g/mol |
| Exact Mass | 2008.84 |
| IUPAC Name | 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]phenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(2-methylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-propan-2-ylphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine |
| SMILES | CC(C)c1cccc(-c2ncccc2-c2ccc3nccc(N)c3c2)c1.COc1cccc(-c2ncccc2-c2ccc3nccc(N)c3c2)c1.Cc1ccccc1-c1ncccc1-c1ccc2nccc(N)c2c1.Nc1ccnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.Nc1ccnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Nc1ccnc2ccc(-c3cccnc3-c3cccc(OC(F)(F)F)c3)cc12 |
| InChI | InChI=1S/C23H19N3.C23H21N3.C21H14F3N3O.C21H17N3O.C21H17N3.C20H15N3O/c24-21-10-12-25-22-9-8-17(14-20(21)22)19-5-2-11-26-23(19)18-4-1-3-16(13-18)15-6-7-15;1-15(2)16-5-3-6-18(13-16)23-19(7-4-11-26-23)17-8-9-22-20(14-17)21(24)10-12-25-22;22-21(23,24)28-15-4-1-3-14(11-15)20-16(5-2-9-27-20)13-6-7-19-17(12-13)18(25)8-10-26-19;1-25-16-5-2-4-15(12-16)21-17(6-3-10-24-21)14-7-8-20-18(13-14)19(22)9-11-23-20;1-14-5-2-3-6-16(14)21-17(7-4-11-24-21)15-8-9-20-18(13-15)19(22)10-12-23-20;21-18-8-10-22-19-7-6-13(12-17(18)19)16-5-2-9-23-20(16)14-3-1-4-15(24)11-14/h1-5,8-15H,6-7H2,(H2,24,25);3-15H,1-2H3,(H2,24,25);1-12H,(H2,25,26);2-13H,1H3,(H2,22,23);2-13H,1H3,(H2,22,23);1-12,24H,(H2,21,22) |
| InChIKey | NZCVICDNPSWASK-UHFFFAOYSA-N |
| XLogP | 30.20 |
| TPSA | 349.49 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2010.36 |
| LogP ≤ 5 | 30.20 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 21 |