1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone

C151H119FN30O11S2 — CID 159802157

About 1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone

1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone (PubChem CID 159802157) has the molecular formula C151H119FN30O11S2 and a molecular weight of 2612.94 g/mol. Its IUPAC name is 1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone
• PubChem CID: 159802157
• Molecular Formula: C151H119FN30O11S2
• Molecular Weight: 2612.94 g/mol
• Exact Mass: 2610.91
• IUPAC Name: 1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone
• SMILES: COC(c1cncnc1)c1cc(C(=O)Cc2nc(C)cs2)c2ncccc2c1.Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3nccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)n1
• InChI: InChI=1S/C23H20N4O.2C22H16N4O2.C21H16FN5O.C21H15N5O2.C21H18N4O2S.C21H18N4OS/c1-15-5-6-20(27-11-15)10-22(28)21-9-18(8-17-4-3-7-26-23(17)21)16(2)19-12-24-14-25-13-19;2*1-14-4-2-6-18(26-14)10-20(27)19-9-16(8-15-5-3-7-25-21(15)19)22(28)17-11-23-13-24-12-17;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;1-13-2-3-16(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;1-13-11-28-19(25-13)8-18(26)17-7-15(6-14-4-3-5-24-20(14)17)21(27-2)16-9-22-12-23-10-16;1-13-11-27-20(25-13)8-19(26)18-7-16(6-15-4-3-5-24-21(15)18)14(2)17-9-22-12-23-10-17/h3-9,11-14,16H,10H2,1-2H3;2*2-9,11-13H,10H2,1H3;2-7,9-12,20H,8H2,1H3;2-7,9-12H,8H2,1H3;3-7,9-12,21H,8H2,1-2H3;3-7,9-12,14H,8H2,1-2H3
• InChIKey: NJXUBJWWTOEMNW-UHFFFAOYSA-N
• XLogP: 25.78
• TPSA: 566.63 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 36
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2612.94
LogP ≤ 5	25.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone?

The IUPAC name of 1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone (CID 159802157) is 1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone.

What is the SMILES notation for 1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone?

The canonical SMILES for 1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone is COC(c1cncnc1)c1cc(C(=O)Cc2nc(C)cs2)c2ncccc2c1.Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3nccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)n1.

What is the InChIKey of 1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone?

The InChIKey is NJXUBJWWTOEMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O.2C22H16N4O2.C21H16FN5O.C21H15N5O2.C21H18N4O2S.C21H18N4OS/c1-15-5-6-20(27-11-15)10-22(28)21-9-18(8-17-4-3-7-26-23(17)21)16(2)19-12-24-14-25-13-19;2*1-14-4-2-6-18(26-14)10-20(27)19-9-16(8-15-5-3-7-25-21(15)19)22(28)17-11-23-13-24-12-17;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;1-13-2-3-16(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;1-13-11-28-19(25-13)8-18(26)17-7-15(6-14-4-3-5-24-20(14)17)21(27-2)16-9-22-12-23-10-16;1-13-11-27-20(25-13)8-19(26)18-7-16(6-15-4-3-5-24-21(15)18)14(2)17-9-22-12-23-10-17/h3-9,11-14,16H,10H2,1-2H3;2*2-9,11-13H,10H2,1H3;2-7,9-12,20H,8H2,1H3;2-7,9-12H,8H2,1H3;3-7,9-12,21H,8H2,1-2H3;3-7,9-12,14H,8H2,1-2H3.

What are the key properties of 1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone?

1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone has a molecular weight of 2612.94 g/mol, XLogP of 25.78, 36 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone is sourced from PubChem (CID 159802157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).