1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one

C116H136F4N12O9 — CID 158459644

About 1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one

1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one (PubChem CID 158459644) has the molecular formula C116H136F4N12O9 and a molecular weight of 1918.43 g/mol. Its IUPAC name is 1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one.

Molecular Properties

• Compound Name: 1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one
• PubChem CID: 158459644
• Molecular Formula: C116H136F4N12O9
• Molecular Weight: 1918.43 g/mol
• Exact Mass: 1917.05
• IUPAC Name: 1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one
• SMILES: CCCC(=O)N1CCN(c2cc3c(CC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)CC1.CCCC(=O)N1CCN(c2cc3c(CCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2OC(F)(F)F)CC1.CCCC(=O)N1CCN(c2ccc3ncc(C(=O)CC(C)C)c(Cc4ccccc4)c3c2)CC1.CCCC(=O)c1cnc2ccc(N3CCN(C(=O)CCC)CC3)cc2c1Cc1ccccc1
• InChI: InChI=1S/C31H34F3N3O3.C29H35N3O2.C28H34FN3O2.C28H33N3O2/c1-2-6-30(39)37-15-13-36(14-16-37)27-18-24-23(12-11-21-7-4-3-5-8-21)25(28(38)17-22-9-10-22)20-35-26(24)19-29(27)40-31(32,33)34;1-4-8-29(34)32-15-13-31(14-16-32)23-11-12-27-25(19-23)24(18-22-9-6-5-7-10-22)26(20-30-27)28(33)17-21(2)3;1-2-3-28(34)32-8-6-31(7-9-32)26-14-22-21(13-20-18-11-19(20)12-18)23(27(33)10-17-4-5-17)16-30-25(22)15-24(26)29;1-3-8-27(32)25-20-29-26-13-12-22(30-14-16-31(17-15-30)28(33)9-4-2)19-24(26)23(25)18-21-10-6-5-7-11-21/h3-5,7-8,18-20,22H,2,6,9-17H2,1H3;5-7,9-12,19-21H,4,8,13-18H2,1-3H3;14-20H,2-13H2,1H3;5-7,10-13,19-20H,3-4,8-9,14-18H2,1-2H3
• InChIKey: HEZWHPJTKRQSFX-UHFFFAOYSA-N
• XLogP: 22.11
• TPSA: 223.27 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 34
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.43
LogP ≤ 5	22.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one?

The IUPAC name of 1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one (CID 158459644) is 1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one.

What is the SMILES notation for 1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one?

The canonical SMILES for 1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(c2cc3c(CC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)CC1.CCCC(=O)N1CCN(c2cc3c(CCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2OC(F)(F)F)CC1.CCCC(=O)N1CCN(c2ccc3ncc(C(=O)CC(C)C)c(Cc4ccccc4)c3c2)CC1.CCCC(=O)c1cnc2ccc(N3CCN(C(=O)CCC)CC3)cc2c1Cc1ccccc1.

What is the InChIKey of 1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one?

The InChIKey is HEZWHPJTKRQSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N3O3.C29H35N3O2.C28H34FN3O2.C28H33N3O2/c1-2-6-30(39)37-15-13-36(14-16-37)27-18-24-23(12-11-21-7-4-3-5-8-21)25(28(38)17-22-9-10-22)20-35-26(24)19-29(27)40-31(32,33)34;1-4-8-29(34)32-15-13-31(14-16-32)23-11-12-27-25(19-23)24(18-22-9-6-5-7-10-22)26(20-30-27)28(33)17-21(2)3;1-2-3-28(34)32-8-6-31(7-9-32)26-14-22-21(13-20-18-11-19(20)12-18)23(27(33)10-17-4-5-17)16-30-25(22)15-24(26)29;1-3-8-27(32)25-20-29-26-13-12-22(30-14-16-31(17-15-30)28(33)9-4-2)19-24(26)23(25)18-21-10-6-5-7-11-21/h3-5,7-8,18-20,22H,2,6,9-17H2,1H3;5-7,9-12,19-21H,4,8,13-18H2,1-3H3;14-20H,2-13H2,1H3;5-7,10-13,19-20H,3-4,8-9,14-18H2,1-2H3.

What are the key properties of 1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one?

1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one has a molecular weight of 1918.43 g/mol, XLogP of 22.11, 34 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]butan-1-one;1-[4-benzyl-6-(4-butanoylpiperazin-1-yl)quinolin-3-yl]-3-methylbutan-1-one;1-[4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 158459644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).