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

C90H91F10N13O8S3 — CID 157165512

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

1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone (PubChem CID 157165512) has the molecular formula C90H91F10N13O8S3 and a molecular weight of 1768.98 g/mol. Its IUPAC name is 1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
• PubChem CID: 157165512
• Molecular Formula: C90H91F10N13O8S3
• Molecular Weight: 1768.98 g/mol
• Exact Mass: 1767.61
• IUPAC Name: 1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
• SMILES: CC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnc(N)s2)c2ccc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCS(=O)(=O)C(C4CC4)C3)cc2n1.CC(=O)c1cc(-c2ncc(C)s2)c2ccc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2n1
• InChI: InChI=1S/C24H22F4N2O.C23H26N4O3S.C22H22F3N3O2S.C21H21F3N4O2S/c1-15(31)22-12-21(17-5-7-19(25)8-6-17)20-9-4-16(11-23(20)29-22)13-30-10-2-3-18(14-30)24(26,27)28;1-15(28)21-10-20(18-11-24-26(2)13-18)19-6-3-16(9-22(19)25-21)12-27-7-8-31(29,30)23(14-27)17-4-5-17;1-12-9-28(11-20(30-12)22(23,24)25)10-15-4-5-16-17(21-26-8-13(2)31-21)7-18(14(3)29)27-19(16)6-15;1-11-8-28(10-19(30-11)21(22,23)24)9-13-3-4-14-15(18-7-26-20(25)31-18)6-16(12(2)29)27-17(14)5-13/h4-9,11-12,18H,2-3,10,13-14H2,1H3;3,6,9-11,13,17,23H,4-5,7-8,12,14H2,1-2H3;4-8,12,20H,9-11H2,1-3H3;3-7,11,19H,8-10H2,1-2H3,(H2,25,26)/t;;12-,20-;11-,19-/m..11/s1
• InChIKey: AMWBDYZZVZRMAE-YYAKDAPISA-N
• XLogP: 18.18
• TPSA: 255.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1768.98
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

The IUPAC name of 1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone (CID 157165512) is 1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone.

What is the SMILES notation for 1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

The canonical SMILES for 1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone is CC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnc(N)s2)c2ccc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCS(=O)(=O)C(C4CC4)C3)cc2n1.CC(=O)c1cc(-c2ncc(C)s2)c2ccc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2n1.

What is the InChIKey of 1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

The InChIKey is AMWBDYZZVZRMAE-YYAKDAPISA-N. The full InChI is InChI=1S/C24H22F4N2O.C23H26N4O3S.C22H22F3N3O2S.C21H21F3N4O2S/c1-15(31)22-12-21(17-5-7-19(25)8-6-17)20-9-4-16(11-23(20)29-22)13-30-10-2-3-18(14-30)24(26,27)28;1-15(28)21-10-20(18-11-24-26(2)13-18)19-6-3-16(9-22(19)25-21)12-27-7-8-31(29,30)23(14-27)17-4-5-17;1-12-9-28(11-20(30-12)22(23,24)25)10-15-4-5-16-17(21-26-8-13(2)31-21)7-18(14(3)29)27-19(16)6-15;1-11-8-28(10-19(30-11)21(22,23)24)9-13-3-4-14-15(18-7-26-20(25)31-18)6-16(12(2)29)27-17(14)5-13/h4-9,11-12,18H,2-3,10,13-14H2,1H3;3,6,9-11,13,17,23H,4-5,7-8,12,14H2,1-2H3;4-8,12,20H,9-11H2,1-3H3;3-7,11,19H,8-10H2,1-2H3,(H2,25,26)/t;;12-,20-;11-,19-/m..11/s1.

What are the key properties of 1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone has a molecular weight of 1768.98 g/mol, XLogP of 18.18, 17 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-amino-1,3-thiazol-5-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[7-[(2-cyclopropyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(4-fluorophenyl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(5-methyl-1,3-thiazol-2-yl)-7-[[(2R,6R)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone is sourced from PubChem (CID 157165512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).