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

C123H91F2N27O10S3 — CID 159773991

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

1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)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;2-(6-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone (PubChem CID 159773991) has the molecular formula C123H91F2N27O10S3 and a molecular weight of 2241.46 g/mol. Its IUPAC name is 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)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;2-(6-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)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;2-(6-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone
• PubChem CID: 159773991
• Molecular Formula: C123H91F2N27O10S3
• Molecular Weight: 2241.46 g/mol
• Exact Mass: 2239.66
• IUPAC Name: 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)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;2-(6-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone
• SMILES: Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)n1.Cc1csc(CC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(O)c3cncnc3)cc3cccnc23)n1
• InChI: InChI=1S/C22H17FN4O.2C21H15N5O2.C20H15FN4OS.C20H16N4O2S.C19H13N5O2S/c1-14-4-5-18(27-10-14)9-20(28)19-8-16(7-15-3-2-6-26-22(15)19)21(23)17-11-24-13-25-12-17;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;1-13-3-2-4-16(26-13)9-19(27)17-7-14(8-18-20(17)25-6-5-24-18)21(28)15-10-22-12-23-11-15;1-12-10-27-18(25-12)7-17(26)16-6-14(5-13-3-2-4-24-20(13)16)19(21)15-8-22-11-23-9-15;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;1-11-9-27-17(24-11)6-16(25)14-4-12(5-15-18(14)23-3-2-22-15)19(26)13-7-20-10-21-8-13/h2-8,10-13,21H,9H2,1H3;2-7,9-12H,8H2,1H3;2-8,10-12H,9H2,1H3;2-6,8-11,19H,7H2,1H3;2-6,8-11,20,26H,7H2,1H3;2-5,7-10H,6H2,1H3
• InChIKey: NGMKXUJIQAUVGP-UHFFFAOYSA-N
• XLogP: 20.18
• TPSA: 521.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2241.46
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

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

The IUPAC name of 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)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;2-(6-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone (CID 159773991) is 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)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;2-(6-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone.

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

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

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

The InChIKey is NGMKXUJIQAUVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O.2C21H15N5O2.C20H15FN4OS.C20H16N4O2S.C19H13N5O2S/c1-14-4-5-18(27-10-14)9-20(28)19-8-16(7-15-3-2-6-26-22(15)19)21(23)17-11-24-13-25-12-17;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;1-13-3-2-4-16(26-13)9-19(27)17-7-14(8-18-20(17)25-6-5-24-18)21(28)15-10-22-12-23-11-15;1-12-10-27-18(25-12)7-17(26)16-6-14(5-13-3-2-4-24-20(13)16)19(21)15-8-22-11-23-9-15;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;1-11-9-27-17(24-11)6-16(25)14-4-12(5-15-18(14)23-3-2-22-15)19(26)13-7-20-10-21-8-13/h2-8,10-13,21H,9H2,1H3;2-7,9-12H,8H2,1H3;2-8,10-12H,9H2,1H3;2-6,8-11,19H,7H2,1H3;2-6,8-11,20,26H,7H2,1H3;2-5,7-10H,6H2,1H3.

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

1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)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;2-(6-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone has a molecular weight of 2241.46 g/mol, XLogP of 20.18, 30 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)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;2-(6-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone is sourced from PubChem (CID 159773991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).