6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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
C123H150ClN19O8S — CID 157418204
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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
SMILESCC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCC(C)(C)O)cc3n2)cs1.Cc1ccc2c(OC(C)(C)C)cc(-c3cccc(NC(C)C)n3)nc2c1Cl.Cc1ccc2c(OC(C)(C)C)cc(-c3ccn(C(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3cncc(C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nccc(C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1
InChIInChI=1S/C23H31N3O3S.C22H26ClN3O.C20H26N4O.C20H25N3O.2C19H21N3O/c1-14(2)24-21-26-19(12-30-21)18-11-20(29-22(3,4)5)16-9-8-15(10-17(16)25-18)28-13-23(6,7)27;1-13(2)24-19-9-7-8-16(25-19)17-12-18(27-22(4,5)6)15-11-10-14(3)20(23)21(15)26-17;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;1-12-6-7-14-15(8-12)22-16(9-18(14)23-19(3,4)5)17-11-20-10-13(2)21-17;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/h8-12,14,27H,13H2,1-7H3,(H,24,26);7-13H,1-6H3,(H,24,25);7-13H,1-6H3,(H,21,23);7-13H,1-6H3;2*6-11H,1-5H3
InChIKeyBPCDLUZHXCJHSI-UHFFFAOYSA-N
MW2090.20 g/mol
LogP30.63
Rot. Bonds22
About 6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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
6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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 (PubChem CID 157418204) has the molecular formula C123H150ClN19O8S and a molecular weight of 2090.20 g/mol. Its IUPAC name is 6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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.
Molecular Properties
| Compound Name | 6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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 |
|---|---|
| PubChem CID | 157418204 |
| Molecular Formula | C123H150ClN19O8S |
| Molecular Weight | 2090.20 g/mol |
| Exact Mass | 2088.13 |
| IUPAC Name | 6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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 |
| SMILES | CC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCC(C)(C)O)cc3n2)cs1.Cc1ccc2c(OC(C)(C)C)cc(-c3cccc(NC(C)C)n3)nc2c1Cl.Cc1ccc2c(OC(C)(C)C)cc(-c3ccn(C(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3cncc(C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nccc(C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1 |
| InChI | InChI=1S/C23H31N3O3S.C22H26ClN3O.C20H26N4O.C20H25N3O.2C19H21N3O/c1-14(2)24-21-26-19(12-30-21)18-11-20(29-22(3,4)5)16-9-8-15(10-17(16)25-18)28-13-23(6,7)27;1-13(2)24-19-9-7-8-16(25-19)17-12-18(27-22(4,5)6)15-11-10-14(3)20(23)21(15)26-17;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;1-12-6-7-14-15(8-12)22-16(9-18(14)23-19(3,4)5)17-11-20-10-13(2)21-17;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/h8-12,14,27H,13H2,1-7H3,(H,24,26);7-13H,1-6H3,(H,24,25);7-13H,1-6H3,(H,21,23);7-13H,1-6H3;2*6-11H,1-5H3 |
| InChIKey | BPCDLUZHXCJHSI-UHFFFAOYSA-N |
| XLogP | 30.63 |
| TPSA | 311.25 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 152 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2090.20 |
| LogP ≤ 5 | 30.63 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 28 |
Frequently Asked Questions
What is the IUPAC name of 6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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?
The IUPAC name of 6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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 (CID 157418204) is 6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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.
What is the SMILES notation for 6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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?
The canonical SMILES for 6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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 is CC(C)Nc1nc(-c2cc(OC(C)(C)C)c3ccc(OCC(C)(C)O)cc3n2)cs1.Cc1ccc2c(OC(C)(C)C)cc(-c3cccc(NC(C)C)n3)nc2c1Cl.Cc1ccc2c(OC(C)(C)C)cc(-c3ccn(C(C)C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3cncc(C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-c3nccc(C)n3)nc2c1.Cc1ccc2c(OC(C)(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1.
What is the InChIKey of 6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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?
The InChIKey is BPCDLUZHXCJHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S.C22H26ClN3O.C20H26N4O.C20H25N3O.2C19H21N3O/c1-14(2)24-21-26-19(12-30-21)18-11-20(29-22(3,4)5)16-9-8-15(10-17(16)25-18)28-13-23(6,7)27;1-13(2)24-19-9-7-8-16(25-19)17-12-18(27-22(4,5)6)15-11-10-14(3)20(23)21(15)26-17;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;1-12-6-7-14-15(8-12)22-16(9-18(14)23-19(3,4)5)17-11-20-10-13(2)21-17;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/h8-12,14,27H,13H2,1-7H3,(H,24,26);7-13H,1-6H3,(H,24,25);7-13H,1-6H3,(H,21,23);7-13H,1-6H3;2*6-11H,1-5H3.
What are the key properties of 6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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?
6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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 has a molecular weight of 2090.20 g/mol, XLogP of 30.63, 22 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-chloro-7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyridin-2-amine;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(6-methylpyrazin-2-yl)quinoline;7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(4-methylpyrimidin-2-yl)quinoline;2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxypropan-2-ol;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 is sourced from PubChem (CID 157418204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157418204 — identifiers, structure, computed properties (public domain)
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