1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone
C129H93F4N23O11S2 — CID 158008947
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone
SMILESCc1ccc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3nccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(O)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/2C23H16FN3O2.C21H16FN5O.C21H14FN3O2S.C21H15N5O2.C20H16N4O2S/c1-14-4-2-6-19(27-14)11-21(28)20-10-16(8-15-5-3-7-26-22(15)20)23(29)17-9-18(24)13-25-12-17;1-14-4-5-19(27-11-14)10-21(28)20-9-16(7-15-3-2-6-26-22(15)20)23(29)17-8-18(24)13-25-12-17;1-13-2-3-16(27-9-13)8-19(28)17-6-14(7-18-21(17)26-5-4-25-18)20(22)15-10-23-12-24-11-15;1-12-11-28-19(25-12)8-18(26)17-7-14(5-13-3-2-4-24-20(13)17)21(27)15-6-16(22)10-23-9-15;1-13-2-3-16(26-9-13)8-19(27)17-6-14(7-18-20(17)25-5-4-24-18)21(28)15-10-22-12-23-11-15;1-12-10-27-18(24-12)7-17(25)16-6-14(5-13-3-2-4-23-19(13)16)20(26)15-8-21-11-22-9-15/h2-10,12-13H,11H2,1H3;2-9,11-13H,10H2,1H3;2-7,9-12,20H,8H2,1H3;2-7,9-11H,8H2,1H3;2-7,9-12H,8H2,1H3;2-6,8-11,20,26H,7H2,1H3
InChIKeyFEQJGNBFAGJTNI-UHFFFAOYSA-N
MW2281.44 g/mol
LogP22.13
Rot. Bonds30
About 1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone
1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone (PubChem CID 158008947) has the molecular formula C129H93F4N23O11S2 and a molecular weight of 2281.44 g/mol. Its IUPAC name is 1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone.
Molecular Properties
| Compound Name | 1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone |
|---|---|
| PubChem CID | 158008947 |
| Molecular Formula | C129H93F4N23O11S2 |
| Molecular Weight | 2281.44 g/mol |
| Exact Mass | 2279.68 |
| IUPAC Name | 1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone |
| SMILES | Cc1ccc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3nccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(O)c3cncnc3)cc3cccnc23)n1 |
| InChI | InChI=1S/2C23H16FN3O2.C21H16FN5O.C21H14FN3O2S.C21H15N5O2.C20H16N4O2S/c1-14-4-2-6-19(27-14)11-21(28)20-10-16(8-15-5-3-7-26-22(15)20)23(29)17-9-18(24)13-25-12-17;1-14-4-5-19(27-11-14)10-21(28)20-9-16(7-15-3-2-6-26-22(15)20)23(29)17-8-18(24)13-25-12-17;1-13-2-3-16(27-9-13)8-19(28)17-6-14(7-18-21(17)26-5-4-25-18)20(22)15-10-23-12-24-11-15;1-12-11-28-19(25-12)8-18(26)17-7-14(5-13-3-2-4-24-20(13)17)21(27)15-6-16(22)10-23-9-15;1-13-2-3-16(26-9-13)8-19(27)17-6-14(7-18-20(17)25-5-4-24-18)21(28)15-10-22-12-23-11-15;1-12-10-27-18(24-12)7-17(25)16-6-14(5-13-3-2-4-23-19(13)16)20(26)15-8-21-11-22-9-15/h2-10,12-13H,11H2,1H3;2-9,11-13H,10H2,1H3;2-7,9-12,20H,8H2,1H3;2-7,9-11H,8H2,1H3;2-7,9-12H,8H2,1H3;2-6,8-11,20,26H,7H2,1H3 |
| InChIKey | FEQJGNBFAGJTNI-UHFFFAOYSA-N |
| XLogP | 22.13 |
| TPSA | 487.40 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 169 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2281.44 |
| LogP ≤ 5 | 22.13 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 36 |
Frequently Asked Questions
What is the IUPAC name of 1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone?
The IUPAC name of 1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone (CID 158008947) is 1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone.
What is the SMILES notation for 1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone?
The canonical SMILES for 1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone is Cc1ccc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3nccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(O)c3cncnc3)cc3cccnc23)n1.
What is the InChIKey of 1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone?
The InChIKey is FEQJGNBFAGJTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H16FN3O2.C21H16FN5O.C21H14FN3O2S.C21H15N5O2.C20H16N4O2S/c1-14-4-2-6-19(27-14)11-21(28)20-10-16(8-15-5-3-7-26-22(15)20)23(29)17-9-18(24)13-25-12-17;1-14-4-5-19(27-11-14)10-21(28)20-9-16(7-15-3-2-6-26-22(15)20)23(29)17-8-18(24)13-25-12-17;1-13-2-3-16(27-9-13)8-19(28)17-6-14(7-18-21(17)26-5-4-25-18)20(22)15-10-23-12-24-11-15;1-12-11-28-19(25-12)8-18(26)17-7-14(5-13-3-2-4-24-20(13)17)21(27)15-6-16(22)10-23-9-15;1-13-2-3-16(26-9-13)8-19(27)17-6-14(7-18-20(17)25-5-4-24-18)21(28)15-10-22-12-23-11-15;1-12-10-27-18(24-12)7-17(25)16-6-14(5-13-3-2-4-23-19(13)16)20(26)15-8-21-11-22-9-15/h2-10,12-13H,11H2,1H3;2-9,11-13H,10H2,1H3;2-7,9-12,20H,8H2,1H3;2-7,9-11H,8H2,1H3;2-7,9-12H,8H2,1H3;2-6,8-11,20,26H,7H2,1H3.
What are the key properties of 1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone?
1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone has a molecular weight of 2281.44 g/mol, XLogP of 22.13, 30 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone is sourced from PubChem (CID 158008947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158008947 — identifiers, structure, computed properties (public domain)
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