1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone

C108H119F6N19O12S — CID 162216108

About 1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone

1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone (PubChem CID 162216108) has the molecular formula C108H119F6N19O12S and a molecular weight of 2021.32 g/mol. Its IUPAC name is 1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
• PubChem CID: 162216108
• Molecular Formula: C108H119F6N19O12S
• Molecular Weight: 2021.32 g/mol
• Exact Mass: 2019.89
• IUPAC Name: 1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
• SMILES: CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCOC(C)(C)C3)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCOCC3(C)C)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1.COCC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(C)=O)nc3c2)CCO1.COc1ncc(-c2cc(C(C)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)s1
• InChI: InChI=1S/C22H26N4O3.2C22H26N4O2.C21H21F3N4O2.C21H20F3N3O3S/c1-15(27)21-9-20(17-10-23-25(2)12-17)19-5-4-16(8-22(19)24-21)11-26-6-7-29-18(13-26)14-28-3;1-15(27)20-10-19(17-11-23-25(4)13-17)18-6-5-16(9-21(18)24-20)12-26-7-8-28-14-22(26,2)3;1-15(27)20-10-19(17-11-23-25(4)13-17)18-6-5-16(9-21(18)24-20)12-26-7-8-28-22(2,3)14-26;1-13(29)18-8-17(15-9-25-27(2)11-15)16-4-3-14(7-19(16)26-18)10-28-5-6-30-20(12-28)21(22,23)24;1-12(28)16-8-15(18-9-25-20(29-2)31-18)14-4-3-13(7-17(14)26-16)10-27-5-6-30-19(11-27)21(22,23)24/h4-5,8-10,12,18H,6-7,11,13-14H2,1-3H3;2*5-6,9-11,13H,7-8,12,14H2,1-4H3;3-4,7-9,11,20H,5-6,10,12H2,1-2H3;3-4,7-9,19H,5-6,10-11H2,1-2H3/t;;;20-;/m...1./s1
• InChIKey: ZTMIKZLBHWZQFO-NEQOQZDDSA-N
• XLogP: 17.52
• TPSA: 314.78 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2021.32
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

The IUPAC name of 1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone (CID 162216108) is 1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone.

What is the SMILES notation for 1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

The canonical SMILES for 1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone is CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCOC(C)(C)C3)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCOCC3(C)C)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1.COCC1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(C)=O)nc3c2)CCO1.COc1ncc(-c2cc(C(C)=O)nc3cc(CN4CCOC(C(F)(F)F)C4)ccc23)s1.

What is the InChIKey of 1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

The InChIKey is ZTMIKZLBHWZQFO-NEQOQZDDSA-N. The full InChI is InChI=1S/C22H26N4O3.2C22H26N4O2.C21H21F3N4O2.C21H20F3N3O3S/c1-15(27)21-9-20(17-10-23-25(2)12-17)19-5-4-16(8-22(19)24-21)11-26-6-7-29-18(13-26)14-28-3;1-15(27)20-10-19(17-11-23-25(4)13-17)18-6-5-16(9-21(18)24-20)12-26-7-8-28-14-22(26,2)3;1-15(27)20-10-19(17-11-23-25(4)13-17)18-6-5-16(9-21(18)24-20)12-26-7-8-28-22(2,3)14-26;1-13(29)18-8-17(15-9-25-27(2)11-15)16-4-3-14(7-19(16)26-18)10-28-5-6-30-20(12-28)21(22,23)24;1-12(28)16-8-15(18-9-25-20(29-2)31-18)14-4-3-13(7-17(14)26-16)10-27-5-6-30-19(11-27)21(22,23)24/h4-5,8-10,12,18H,6-7,11,13-14H2,1-3H3;2*5-6,9-11,13H,7-8,12,14H2,1-4H3;3-4,7-9,11,20H,5-6,10,12H2,1-2H3;3-4,7-9,19H,5-6,10-11H2,1-2H3/t;;;20-;/m...1./s1.

What are the key properties of 1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone?

1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone has a molecular weight of 2021.32 g/mol, XLogP of 17.52, 23 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[(2,2-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3,3-dimethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-(methoxymethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(2-methoxy-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone is sourced from PubChem (CID 162216108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).