C140H148F2N22O8 — CID 157423068
N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine (PubChem CID 157423068) has the molecular formula C140H148F2N22O8 and a molecular weight of 2304.87 g/mol. Its IUPAC name is N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine.
| Compound Name | N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine |
|---|---|
| PubChem CID | 157423068 |
| Molecular Formula | C140H148F2N22O8 |
| Molecular Weight | 2304.87 g/mol |
| Exact Mass | 2303.18 |
| IUPAC Name | N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-8-(2-methoxyphenyl)quinazolin-2-amine;6-fluoro-8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine |
| SMILES | COc1ccccc1-c1cc(F)cc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1ccccc1-c1cc(F)cc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1ccccc1-c1cccc2cnc(Nc3cc(C4CCCCC4)nn3C(C)C)nc12.COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)(C)C4)nc12.COc1ccccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12 |
| InChI | InChI=1S/C30H32N4O2.C28H27FN4O2.C28H28N4O2.C27H30FN5O.C27H31N5O/c1-30(2)17-24-21(19-13-15-31-16-14-19)11-12-25(28(24)36-30)33-29-32-18-20-7-6-9-23(27(20)34-29)22-8-4-5-10-26(22)35-3;1-34-25-5-3-2-4-21(25)23-15-19(29)14-18-16-31-28(33-26(18)23)32-24-7-6-20(17-8-11-30-12-9-17)22-10-13-35-27(22)24;1-33-25-8-3-2-6-21(25)22-7-4-5-19-17-30-28(32-26(19)22)31-24-10-9-20(18-11-14-29-15-12-18)23-13-16-34-27(23)24;1-17(2)33-25(15-23(32-33)18-9-5-4-6-10-18)30-27-29-16-19-13-20(28)14-22(26(19)31-27)21-11-7-8-12-24(21)34-3;1-18(2)32-25(16-23(31-32)19-10-5-4-6-11-19)29-27-28-17-20-12-9-14-22(26(20)30-27)21-13-7-8-15-24(21)33-3/h4-12,18-19,31H,13-17H2,1-3H3,(H,32,33,34);2-7,14-17,30H,8-13H2,1H3,(H,31,32,33);2-10,17-18,29H,11-16H2,1H3,(H,30,31,32);7-8,11-18H,4-6,9-10H2,1-3H3,(H,29,30,31);7-9,12-19H,4-6,10-11H2,1-3H3,(H,28,29,30) |
| InChIKey | BPQIBNUTPQFFRB-UHFFFAOYSA-N |
| XLogP | 31.16 |
| TPSA | 334.62 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 172 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2304.87 |
| LogP ≤ 5 | 31.16 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 30 |