7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-(4-azaspiro[2.5]octan-4-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;4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

C110H121F7N22O7S — CID 158036992

About 7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-(4-azaspiro[2.5]octan-4-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;4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-(4-azaspiro[2.5]octan-4-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;4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 158036992) has the molecular formula C110H121F7N22O7S and a molecular weight of 2028.38 g/mol. Its IUPAC name is 7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-(4-azaspiro[2.5]octan-4-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;4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-(4-azaspiro[2.5]octan-4-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;4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
• PubChem CID: 158036992
• Molecular Formula: C110H121F7N22O7S
• Molecular Weight: 2028.38 g/mol
• Exact Mass: 2026.94
• IUPAC Name: 7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-(4-azaspiro[2.5]octan-4-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;4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
• SMILES: 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.Cc1nsc(-c2cc(C(N)=O)nc3cc(CN4C[C@@H](C)O[C@@H](C(F)(F)F)C4)ccc23)n1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC5(CC4)CC5)ccc23)cn1
• InChI: InChI=1S/C23H25F3N4O2.C23H26N4O.C22H25FN4O.C22H25N5O.C20H20F3N5O2S/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)19-6-5-17(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;1-26-14-16(12-24-26)18-11-20(21(23)28)25-19-10-15(2-3-17(18)19)13-27-8-6-22(4-5-22)7-9-27;1-10-7-28(9-17(30-10)20(21,22)23)8-12-3-4-13-14(19-25-11(2)27-31-19)6-16(18(24)29)26-15(13)5-12/h5-9,13,22H,10-12H2,1-4H3;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;2-3,10-12,14H,4-9,13H2,1H3,(H2,23,28);3-6,10,17H,7-9H2,1-2H3,(H2,24,29)/t13-,22-;;;;10-,17-/m1...1/s1
• InChIKey: FHWHXWNSGMEKAY-RCWPICHASA-N
• XLogP: 19.24
• TPSA: 333.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2028.38
LogP ≤ 5	19.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of 7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-(4-azaspiro[2.5]octan-4-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;4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 158036992) is 7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-(4-azaspiro[2.5]octan-4-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;4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

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

The canonical SMILES for 7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-(4-azaspiro[2.5]octan-4-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;4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is 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.Cc1nsc(-c2cc(C(N)=O)nc3cc(CN4C[C@@H](C)O[C@@H](C(F)(F)F)C4)ccc23)n1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC5(CC4)CC5)ccc23)cn1.

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

The InChIKey is FHWHXWNSGMEKAY-RCWPICHASA-N. The full InChI is InChI=1S/C23H25F3N4O2.C23H26N4O.C22H25FN4O.C22H25N5O.C20H20F3N5O2S/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)19-6-5-17(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;1-26-14-16(12-24-26)18-11-20(21(23)28)25-19-10-15(2-3-17(18)19)13-27-8-6-22(4-5-22)7-9-27;1-10-7-28(9-17(30-10)20(21,22)23)8-12-3-4-13-14(19-25-11(2)27-31-19)6-16(18(24)29)26-15(13)5-12/h5-9,13,22H,10-12H2,1-4H3;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;2-3,10-12,14H,4-9,13H2,1H3,(H2,23,28);3-6,10,17H,7-9H2,1-2H3,(H2,24,29)/t13-,22-;;;;10-,17-/m1...1/s1.

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

7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-(4-azaspiro[2.5]octan-4-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;4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 2028.38 g/mol, XLogP of 19.24, 21 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-azaspiro[2.5]octan-6-ylmethyl)-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-(4-azaspiro[2.5]octan-4-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;4-(3-methyl-1,2,4-thiadiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 158036992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).