1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone

C70H49Cl4F21N4O5 — CID 158827128

About 1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone

1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone (PubChem CID 158827128) has the molecular formula C70H49Cl4F21N4O5 and a molecular weight of 1566.95 g/mol. Its IUPAC name is 1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone.

Molecular Properties

• Compound Name: 1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone
• PubChem CID: 158827128
• Molecular Formula: C70H49Cl4F21N4O5
• Molecular Weight: 1566.95 g/mol
• Exact Mass: 1564.21
• IUPAC Name: 1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone
• SMILES: Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1CC(=O)c1cc(Cl)c2ncc(Cl)cc2c1.Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1CC(=O)c1ccc2ncc(Cl)cc2c1.Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1CC(=O)c1ccc2ncccc2c1.O=C1CCC(=O)N1Cl
• InChI: InChI=1S/C22H14Cl2F7NO.C22H15ClF7NO.C22H16F7NO.C4H4ClNO2/c1-10-3-14(20(25,21(26,27)28)22(29,30)31)4-11(2)16(10)8-18(33)12-5-13-6-15(23)9-32-19(13)17(24)7-12;1-11-5-15(20(24,21(25,26)27)22(28,29)30)6-12(2)17(11)9-19(32)13-3-4-18-14(7-13)8-16(23)10-31-18;1-12-8-16(20(23,21(24,25)26)22(27,28)29)9-13(2)17(12)11-19(31)15-5-6-18-14(10-15)4-3-7-30-18;5-6-3(7)1-2-4(6)8/h3-7,9H,8H2,1-2H3;3-8,10H,9H2,1-2H3;3-10H,11H2,1-2H3;1-2H2
• InChIKey: IWPBNVITLISPGN-UHFFFAOYSA-N
• XLogP: 21.95
• TPSA: 127.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1566.95
LogP ≤ 5	21.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone?

The IUPAC name of 1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone (CID 158827128) is 1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone.

What is the SMILES notation for 1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone?

The canonical SMILES for 1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone is Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1CC(=O)c1cc(Cl)c2ncc(Cl)cc2c1.Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1CC(=O)c1ccc2ncc(Cl)cc2c1.Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1CC(=O)c1ccc2ncccc2c1.O=C1CCC(=O)N1Cl.

What is the InChIKey of 1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone?

The InChIKey is IWPBNVITLISPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F7NO.C22H15ClF7NO.C22H16F7NO.C4H4ClNO2/c1-10-3-14(20(25,21(26,27)28)22(29,30)31)4-11(2)16(10)8-18(33)12-5-13-6-15(23)9-32-19(13)17(24)7-12;1-11-5-15(20(24,21(25,26)27)22(28,29)30)6-12(2)17(11)9-19(32)13-3-4-18-14(7-13)8-16(23)10-31-18;1-12-8-16(20(23,21(24,25)26)22(27,28)29)9-13(2)17(12)11-19(31)15-5-6-18-14(10-15)4-3-7-30-18;5-6-3(7)1-2-4(6)8/h3-7,9H,8H2,1-2H3;3-8,10H,9H2,1-2H3;3-10H,11H2,1-2H3;1-2H2.

What are the key properties of 1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone?

1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone has a molecular weight of 1566.95 g/mol, XLogP of 21.95, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloropyrrolidine-2,5-dione;1-(3-chloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;1-(3,8-dichloroquinolin-6-yl)-2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1-quinolin-6-ylethanone is sourced from PubChem (CID 158827128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).