4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone

C112H122F15N21O10S2 — CID 158584501

About 4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone

4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone (PubChem CID 158584501) has the molecular formula C112H122F15N21O10S2 and a molecular weight of 2271.45 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone.

Molecular Properties

• Compound Name: 4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone
• PubChem CID: 158584501
• Molecular Formula: C112H122F15N21O10S2
• Molecular Weight: 2271.45 g/mol
• Exact Mass: 2269.89
• IUPAC Name: 4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone
• SMILES: C.CC(=O)c1cc(-c2c(C)nn(C)c2C)c2ccc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cn(C)nc2C)c2ccc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)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.C[C@@H]1CN(Cc2ccc3c(-c4cnc(N)s4)cc(C(N)=O)nc3c2)C[C@H](C(F)(F)F)O1
• InChI: InChI=1S/C24H27F3N4O2.2C23H25F3N4O2.C21H21F3N4O2S.C20H20F3N5O2S.CH4/c1-13-10-31(12-22(33-13)24(25,26)27)11-17-6-7-18-19(23-14(2)29-30(5)15(23)3)9-20(16(4)32)28-21(18)8-17;1-13-10-30(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;1-13-9-30(12-22(32-13)23(24,25)26)10-16-5-6-17-18(19-11-29(4)28-14(19)2)8-20(15(3)31)27-21(17)7-16;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;1-10-7-28(9-17(30-10)20(21,22)23)8-11-2-3-12-13(16-6-26-19(25)31-16)5-15(18(24)29)27-14(12)4-11;/h6-9,13,22H,10-12H2,1-5H3;5-9,13,22H,10-12H2,1-4H3;5-8,11,13,22H,9-10,12H2,1-4H3;4-7,11,19H,8-10H2,1-3H3;2-6,10,17H,7-9H2,1H3,(H2,24,29)(H2,25,26);1H4/t3*13-,22-;11-,19-;10-,17-;/m11111./s1
• InChIKey: HTQTVYVAOHAPIB-YOBMHKMUSA-N
• XLogP: 21.45
• TPSA: 356.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2271.45
LogP ≤ 5	21.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone?

The IUPAC name of 4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone (CID 158584501) is 4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone.

What is the SMILES notation for 4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone?

The canonical SMILES for 4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone is C.CC(=O)c1cc(-c2c(C)nn(C)c2C)c2ccc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cn(C)nc2C)c2ccc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)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.C[C@@H]1CN(Cc2ccc3c(-c4cnc(N)s4)cc(C(N)=O)nc3c2)C[C@H](C(F)(F)F)O1.

What is the InChIKey of 4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone?

The InChIKey is HTQTVYVAOHAPIB-YOBMHKMUSA-N. The full InChI is InChI=1S/C24H27F3N4O2.2C23H25F3N4O2.C21H21F3N4O2S.C20H20F3N5O2S.CH4/c1-13-10-31(12-22(33-13)24(25,26)27)11-17-6-7-18-19(23-14(2)29-30(5)15(23)3)9-20(16(4)32)28-21(18)8-17;1-13-10-30(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;1-13-9-30(12-22(32-13)23(24,25)26)10-16-5-6-17-18(19-11-29(4)28-14(19)2)8-20(15(3)31)27-21(17)7-16;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;1-10-7-28(9-17(30-10)20(21,22)23)8-11-2-3-12-13(16-6-26-19(25)31-16)5-15(18(24)29)27-14(12)4-11;/h6-9,13,22H,10-12H2,1-5H3;5-9,13,22H,10-12H2,1-4H3;5-8,11,13,22H,9-10,12H2,1-4H3;4-7,11,19H,8-10H2,1-3H3;2-6,10,17H,7-9H2,1H3,(H2,24,29)(H2,25,26);1H4/t3*13-,22-;11-,19-;10-,17-;/m11111./s1.

What are the key properties of 4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone?

4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone has a molecular weight of 2271.45 g/mol, XLogP of 21.45, 20 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;1-[4-(1,3-dimethylpyrazol-4-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]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;methane;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-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1,3,5-trimethylpyrazol-4-yl)quinolin-2-yl]ethanone is sourced from PubChem (CID 158584501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).