1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone

C91H94F7N15O8 — CID 159870692

About 1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone

1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone (PubChem CID 159870692) has the molecular formula C91H94F7N15O8 and a molecular weight of 1658.84 g/mol. Its IUPAC name is 1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
• PubChem CID: 159870692
• Molecular Formula: C91H94F7N15O8
• Molecular Weight: 1658.84 g/mol
• Exact Mass: 1657.73
• IUPAC Name: 1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
• SMILES: CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3C[C@@H](C(F)(F)F)O[C@@H](C)C3)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2n1.COc1ccc(-c2cc(C(C)=O)nc3cc(C(C)Cc4cnc(C)nc4)ccc23)c(F)c1
• InChI: InChI=1S/C26H24FN3O2.C22H23F3N4O2.C22H26N4O2.C21H21F3N4O2/c1-15(9-18-13-28-17(3)29-14-18)19-5-7-22-23(12-25(16(2)31)30-26(22)10-19)21-8-6-20(32-4)11-24(21)27;1-13-9-29(12-21(31-13)22(23,24)25)10-15-4-5-17-18(16-8-26-28(3)11-16)7-19(14(2)30)27-20(17)6-15;1-14-10-26(11-15(2)28-14)12-17-5-6-19-20(18-9-23-25(4)13-18)8-21(16(3)27)24-22(19)7-17;1-13(29)18-8-17(15-9-25-27(2)11-15)16-4-3-14(7-19(16)26-18)10-28-5-6-30-20(12-28)21(22,23)24/h5-8,10-15H,9H2,1-4H3;4-8,11,13,21H,9-10,12H2,1-3H3;5-9,13-15H,10-12H2,1-4H3;3-4,7-9,11,20H,5-6,10,12H2,1-2H3/t;13-,21-;14-,15+;20-/m.0.1/s1
• InChIKey: NSHMTQOVBBPZCO-YFOUGRBGSA-N
• XLogP: 16.73
• TPSA: 245.72 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1658.84
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

The IUPAC name of 1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone (CID 159870692) is 1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone.

What is the SMILES notation for 1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

The canonical SMILES for 1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone is CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3C[C@@H](C(F)(F)F)O[C@@H](C)C3)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2n1.COc1ccc(-c2cc(C(C)=O)nc3cc(C(C)Cc4cnc(C)nc4)ccc23)c(F)c1.

What is the InChIKey of 1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

The InChIKey is NSHMTQOVBBPZCO-YFOUGRBGSA-N. The full InChI is InChI=1S/C26H24FN3O2.C22H23F3N4O2.C22H26N4O2.C21H21F3N4O2/c1-15(9-18-13-28-17(3)29-14-18)19-5-7-22-23(12-25(16(2)31)30-26(22)10-19)21-8-6-20(32-4)11-24(21)27;1-13-9-29(12-21(31-13)22(23,24)25)10-15-4-5-17-18(16-8-26-28(3)11-16)7-19(14(2)30)27-20(17)6-15;1-14-10-26(11-15(2)28-14)12-17-5-6-19-20(18-9-23-25(4)13-18)8-21(16(3)27)24-22(19)7-17;1-13(29)18-8-17(15-9-25-27(2)11-15)16-4-3-14(7-19(16)26-18)10-28-5-6-30-20(12-28)21(22,23)24/h5-8,10-15H,9H2,1-4H3;4-8,11,13,21H,9-10,12H2,1-3H3;5-9,13-15H,10-12H2,1-4H3;3-4,7-9,11,20H,5-6,10,12H2,1-2H3/t;13-,21-;14-,15+;20-/m.0.1/s1.

What are the key properties of 1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone has a molecular weight of 1658.84 g/mol, XLogP of 16.73, 18 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone is sourced from PubChem (CID 159870692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).