1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone

C112H123F7N20O7S — CID 157479191

About 1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone

1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone (PubChem CID 157479191) has the molecular formula C112H123F7N20O7S and a molecular weight of 2026.40 g/mol. Its IUPAC name is 1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
• PubChem CID: 157479191
• Molecular Formula: C112H123F7N20O7S
• Molecular Weight: 2026.40 g/mol
• Exact Mass: 2024.95
• IUPAC Name: 1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
• SMILES: CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCC4(CC3)CC4)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCCCC34CC4)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCCCC3CF)cc2n1.CC(=O)c1cc(-c2cnn(C)c2C)c2ccc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2nc(C)ns2)c2ccc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2n1
• InChI: InChI=1S/C23H25F3N4O2.2C23H26N4O.C22H25FN4O.C21H21F3N4O2S/c1-13-10-30(12-22(32-13)23(24,25)26)11-16-5-6-17-18(19-9-27-29(4)14(19)2)8-20(15(3)31)28-21(17)7-16;1-16(28)21-12-20(18-13-24-26(2)15-18)19-4-3-17(11-22(19)25-21)14-27-9-7-23(5-6-23)8-10-27;1-16(28)21-12-20(18-13-24-26(2)15-18)19-6-5-17(11-22(19)25-21)14-27-10-4-3-7-23(27)8-9-23;1-15(28)21-10-20(17-12-24-26(2)14-17)19-7-6-16(9-22(19)25-21)13-27-8-4-3-5-18(27)11-23;1-11-8-28(10-19(30-11)21(22,23)24)9-14-4-5-15-16(20-25-13(3)27-31-20)7-17(12(2)29)26-18(15)6-14/h5-9,13,22H,10-12H2,1-4H3;3-4,11-13,15H,5-10,14H2,1-2H3;5-6,11-13,15H,3-4,7-10,14H2,1-2H3;6-7,9-10,12,14,18H,3-5,8,11,13H2,1-2H3;4-7,11,19H,8-10H2,1-3H3/t13-,22-;;;;11-,19-/m1...1/s1
• InChIKey: BVYNURQFHXJLLU-VVHYLBMDSA-N
• XLogP: 21.45
• TPSA: 281.52 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2026.40
LogP ≤ 5	21.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

The IUPAC name of 1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone (CID 157479191) is 1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone.

What is the SMILES notation for 1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

The canonical SMILES for 1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone is CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCC4(CC3)CC4)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCCCC34CC4)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCCCC3CF)cc2n1.CC(=O)c1cc(-c2cnn(C)c2C)c2ccc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2nc(C)ns2)c2ccc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2n1.

What is the InChIKey of 1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

The InChIKey is BVYNURQFHXJLLU-VVHYLBMDSA-N. The full InChI is InChI=1S/C23H25F3N4O2.2C23H26N4O.C22H25FN4O.C21H21F3N4O2S/c1-13-10-30(12-22(32-13)23(24,25)26)11-16-5-6-17-18(19-9-27-29(4)14(19)2)8-20(15(3)31)28-21(17)7-16;1-16(28)21-12-20(18-13-24-26(2)15-18)19-4-3-17(11-22(19)25-21)14-27-9-7-23(5-6-23)8-10-27;1-16(28)21-12-20(18-13-24-26(2)15-18)19-6-5-17(11-22(19)25-21)14-27-10-4-3-7-23(27)8-9-23;1-15(28)21-10-20(17-12-24-26(2)14-17)19-7-6-16(9-22(19)25-21)13-27-8-4-3-5-18(27)11-23;1-11-8-28(10-19(30-11)21(22,23)24)9-14-4-5-15-16(20-25-13(3)27-31-20)7-17(12(2)29)26-18(15)6-14/h5-9,13,22H,10-12H2,1-4H3;3-4,11-13,15H,5-10,14H2,1-2H3;5-6,11-13,15H,3-4,7-10,14H2,1-2H3;6-7,9-10,12,14,18H,3-5,8,11,13H2,1-2H3;4-7,11,19H,8-10H2,1-3H3/t13-,22-;;;;11-,19-/m1...1/s1.

What are the key properties of 1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone has a molecular weight of 2026.40 g/mol, XLogP of 21.45, 21 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-(4-azaspiro[2.5]octan-4-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1,5-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone is sourced from PubChem (CID 157479191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).