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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

C110H122F4N22O8S2 — CID 158258542

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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 158258542) has the molecular formula C110H122F4N22O8S2 and a molecular weight of 2020.46 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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
• PubChem CID: 158258542
• Molecular Formula: C110H122F4N22O8S2
• Molecular Weight: 2020.46 g/mol
• Exact Mass: 2018.92
• 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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-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.Cc1cnc(-c2cc(C(N)=O)nc3cc(CN4C[C@@H](C)O[C@@H](C(F)(F)F)C4)ccc23)s1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC5(CC4)CC5)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCS(=O)(=O)C(C5CC5)C4)ccc23)cn1
• InChI: InChI=1S/C23H26N4O.C22H25FN4O.C22H25N5O3S.C22H25N5O.C21H21F3N4O2S/c1-16(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;1-26-12-16(10-24-26)18-9-20(22(23)28)25-19-8-14(2-5-17(18)19)11-27-6-7-31(29,30)21(13-27)15-3-4-15;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;1-11-8-28(10-18(30-11)21(22,23)24)9-13-3-4-14-15(20-26-7-12(2)31-20)6-17(19(25)29)27-16(14)5-13/h5-6,11-13,15H,3-4,7-10,14H2,1-2H3;6-7,9-10,12,14,18H,3-5,8,11,13H2,1-2H3;2,5,8-10,12,15,21H,3-4,6-7,11,13H2,1H3,(H2,23,28);2-3,10-12,14H,4-9,13H2,1H3,(H2,23,28);3-7,11,18H,8-10H2,1-2H3,(H2,25,29)/t;;;;11-,18-/m....1/s1
• InChIKey: GHOWPHGJLGXOOF-CVVYDHGKSA-N
• XLogP: 17.29
• TPSA: 371.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2020.46
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	3
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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 158258542) 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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-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.Cc1cnc(-c2cc(C(N)=O)nc3cc(CN4C[C@@H](C)O[C@@H](C(F)(F)F)C4)ccc23)s1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCC5(CC4)CC5)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCS(=O)(=O)C(C5CC5)C4)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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?

The InChIKey is GHOWPHGJLGXOOF-CVVYDHGKSA-N. The full InChI is InChI=1S/C23H26N4O.C22H25FN4O.C22H25N5O3S.C22H25N5O.C21H21F3N4O2S/c1-16(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;1-26-12-16(10-24-26)18-9-20(22(23)28)25-19-8-14(2-5-17(18)19)11-27-6-7-31(29,30)21(13-27)15-3-4-15;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;1-11-8-28(10-18(30-11)21(22,23)24)9-13-3-4-14-15(20-26-7-12(2)31-20)6-17(19(25)29)27-16(14)5-13/h5-6,11-13,15H,3-4,7-10,14H2,1-2H3;6-7,9-10,12,14,18H,3-5,8,11,13H2,1-2H3;2,5,8-10,12,15,21H,3-4,6-7,11,13H2,1H3,(H2,23,28);2-3,10-12,14H,4-9,13H2,1H3,(H2,23,28);3-7,11,18H,8-10H2,1-2H3,(H2,25,29)/t;;;;11-,18-/m....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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 2020.46 g/mol, XLogP of 17.29, 22 rotatable bonds, 3 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;7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[7-[[2-(fluoromethyl)piperidin-1-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 158258542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).