6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole
C100H120ClN15O5S — CID 157212096
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCc1ccc2c(OC(C)(C)C)cc(-c3ccn(C(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nc(C(C)C)cs3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nccc(C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1.Cc1ccc2c(OC(C)C)cc(-c3cccc(NC(C)C)n3)nc2c1Cl
InChIInChI=1S/C21H24ClN3O.C20H26N4O.C20H25N3O.C20H24N2OS.C19H21N3O/c1-12(2)23-19-8-6-7-16(24-19)17-11-18(26-13(3)4)15-10-9-14(5)20(22)21(15)25-17;1-13(2)21-18-9-10-24(23-18)19-12-17(25-20(4,5)6)15-8-7-14(3)11-16(15)22-19;1-13(2)23-10-9-16(22-23)18-12-19(24-20(4,5)6)15-8-7-14(3)11-17(15)21-18;1-12(2)17-11-24-19(22-17)16-10-18(23-20(4,5)6)14-8-7-13(3)9-15(14)21-16;1-12-6-7-14-15(10-12)22-16(11-17(14)23-19(3,4)5)18-20-9-8-13(2)21-18/h6-13H,1-5H3,(H,23,24);7-13H,1-6H3,(H,21,23);7-13H,1-6H3;7-12H,1-6H3;6-11H,1-5H3
InChIKeyARZUGPPJFDCYET-UHFFFAOYSA-N
MW1679.68 g/mol
LogP26.21
Rot. Bonds17
About 6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole
6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole (PubChem CID 157212096) has the molecular formula C100H120ClN15O5S and a molecular weight of 1679.68 g/mol. Its IUPAC name is 6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole.
Molecular Properties
| Compound Name | 6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole |
|---|---|
| PubChem CID | 157212096 |
| Molecular Formula | C100H120ClN15O5S |
| Molecular Weight | 1679.68 g/mol |
| Exact Mass | 1677.90 |
| IUPAC Name | 6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole |
| SMILES | Cc1ccc2c(OC(C)(C)C)cc(-c3ccn(C(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nc(C(C)C)cs3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nccc(C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1.Cc1ccc2c(OC(C)C)cc(-c3cccc(NC(C)C)n3)nc2c1Cl |
| InChI | InChI=1S/C21H24ClN3O.C20H26N4O.C20H25N3O.C20H24N2OS.C19H21N3O/c1-12(2)23-19-8-6-7-16(24-19)17-11-18(26-13(3)4)15-10-9-14(5)20(22)21(15)25-17;1-13(2)21-18-9-10-24(23-18)19-12-17(25-20(4,5)6)15-8-7-14(3)11-16(15)22-19;1-13(2)23-10-9-16(22-23)18-12-19(24-20(4,5)6)15-8-7-14(3)11-17(15)21-18;1-12(2)17-11-24-19(22-17)16-10-18(23-20(4,5)6)14-8-7-13(3)9-15(14)21-16;1-12-6-7-14-15(10-12)22-16(11-17(14)23-19(3,4)5)18-20-9-8-13(2)21-18/h6-13H,1-5H3,(H,23,24);7-13H,1-6H3,(H,21,23);7-13H,1-6H3;7-12H,1-6H3;6-11H,1-5H3 |
| InChIKey | ARZUGPPJFDCYET-UHFFFAOYSA-N |
| XLogP | 26.21 |
| TPSA | 221.86 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 122 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1679.68 |
| LogP ≤ 5 | 26.21 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 21 |
Frequently Asked Questions
What is the IUPAC name of 6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole (CID 157212096) is 6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole is Cc1ccc2c(OC(C)(C)C)cc(-c3ccn(C(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nc(C(C)C)cs3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nccc(C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1.Cc1ccc2c(OC(C)C)cc(-c3cccc(NC(C)C)n3)nc2c1Cl.
What is the InChIKey of 6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is ARZUGPPJFDCYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O.C20H26N4O.C20H25N3O.C20H24N2OS.C19H21N3O/c1-12(2)23-19-8-6-7-16(24-19)17-11-18(26-13(3)4)15-10-9-14(5)20(22)21(15)25-17;1-13(2)21-18-9-10-24(23-18)19-12-17(25-20(4,5)6)15-8-7-14(3)11-16(15)22-19;1-13(2)23-10-9-16(22-23)18-12-19(24-20(4,5)6)15-8-7-14(3)11-17(15)21-18;1-12(2)17-11-24-19(22-17)16-10-18(23-20(4,5)6)14-8-7-13(3)9-15(14)21-16;1-12-6-7-14-15(10-12)22-16(11-17(14)23-19(3,4)5)18-20-9-8-13(2)21-18/h6-13H,1-5H3,(H,23,24);7-13H,1-6H3,(H,21,23);7-13H,1-6H3;7-12H,1-6H3;6-11H,1-5H3.
What are the key properties of 6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole?
6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 1679.68 g/mol, XLogP of 26.21, 17 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloro-7-methyl-4-propan-2-yloxyquinolin-2-yl)-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(1-propan-2-ylpyrazol-3-yl)quinoline;1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;2-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 157212096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157212096 — identifiers, structure, computed properties (public domain)
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