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

C151H112F4N28O12S2 — CID 160524514

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

1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone (PubChem CID 160524514) has the molecular formula C151H112F4N28O12S2 and a molecular weight of 2650.87 g/mol. Its IUPAC name is 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone.

Molecular Properties

• Compound Name: 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone
• PubChem CID: 160524514
• Molecular Formula: C151H112F4N28O12S2
• Molecular Weight: 2650.87 g/mol
• Exact Mass: 2648.84
• IUPAC Name: 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone
• SMILES: COC(c1cncnc1)c1cc(C(=O)Cc2ccc(C)cn2)c2ncccc2c1.Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)n1
• InChI: InChI=1S/C23H20N4O2.C22H16F2N4O.3C22H16N4O2.C20H14F2N4OS.C20H14N4O2S/c1-15-5-6-19(27-11-15)10-21(28)20-9-17(8-16-4-3-7-26-22(16)20)23(29-2)18-12-24-14-25-13-18;1-14-4-5-18(28-10-14)9-20(29)19-8-16(7-15-3-2-6-27-21(15)19)22(23,24)17-11-25-13-26-12-17;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;2*1-14-4-5-18(26-10-14)9-20(27)19-8-16(7-15-3-2-6-25-21(15)19)22(28)17-11-23-13-24-12-17;1-12-10-28-18(26-12)7-17(27)16-6-14(5-13-3-2-4-25-19(13)16)20(21,22)15-8-23-11-24-9-15;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/h3-9,11-14,23H,10H2,1-2H3;2-8,10-13H,9H2,1H3;2-9,11-13H,10H2,1H3;2*2-8,10-13H,9H2,1H3;2-6,8-11H,7H2,1H3;2-6,8-11H,7H2,1H3
• InChIKey: QUSDRZZAYZDWHO-UHFFFAOYSA-N
• XLogP: 26.14
• TPSA: 557.92 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 36
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2650.87
LogP ≤ 5	26.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

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

The IUPAC name of 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone (CID 160524514) is 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone.

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

The canonical SMILES for 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone is COC(c1cncnc1)c1cc(C(=O)Cc2ccc(C)cn2)c2ncccc2c1.Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)n1.

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

The InChIKey is QUSDRZZAYZDWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2.C22H16F2N4O.3C22H16N4O2.C20H14F2N4OS.C20H14N4O2S/c1-15-5-6-19(27-11-15)10-21(28)20-9-17(8-16-4-3-7-26-22(16)20)23(29-2)18-12-24-14-25-13-18;1-14-4-5-18(28-10-14)9-20(29)19-8-16(7-15-3-2-6-27-21(15)19)22(23,24)17-11-25-13-26-12-17;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;2*1-14-4-5-18(26-10-14)9-20(27)19-8-16(7-15-3-2-6-25-21(15)19)22(28)17-11-23-13-24-12-17;1-12-10-28-18(26-12)7-17(27)16-6-14(5-13-3-2-4-25-19(13)16)20(21,22)15-8-23-11-24-9-15;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/h3-9,11-14,23H,10H2,1-2H3;2-8,10-13H,9H2,1H3;2-9,11-13H,10H2,1H3;2*2-8,10-13H,9H2,1H3;2-6,8-11H,7H2,1H3;2-6,8-11H,7H2,1H3.

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

1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone has a molecular weight of 2650.87 g/mol, XLogP of 26.14, 36 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone is sourced from PubChem (CID 160524514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).