2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone

C17H12F6N2O2 — CID 10916138

IUPAC2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone
SMILESO=C(c1cc(C(=O)C(F)(F)F)c2cccnc2c1N1CCCC1)C(F)(F)F
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)14(26)10-8-11(15(27)17(21,22)23)13(25-6-1-2-7-25)12-9(10)4-3-5-24-12/h3-5,8H,1-2,6-7H2
InChIKeyUSLASCGKJLOZFW-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.32
Rot. Bonds3

About 2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone

2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone (PubChem CID 10916138) has the molecular formula C17H12F6N2O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone
PubChem CID10916138
Molecular FormulaC17H12F6N2O2
Molecular Weight390.28 g/mol
Exact Mass390.08
IUPAC Name2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone
SMILESO=C(c1cc(C(=O)C(F)(F)F)c2cccnc2c1N1CCCC1)C(F)(F)F
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)14(26)10-8-11(15(27)17(21,22)23)13(25-6-1-2-7-25)12-9(10)4-3-5-24-12/h3-5,8H,1-2,6-7H2
InChIKeyUSLASCGKJLOZFW-UHFFFAOYSA-N
XLogP4.32
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone (CID 10916138) is 2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone is O=C(c1cc(C(=O)C(F)(F)F)c2cccnc2c1N1CCCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone?
The InChIKey is USLASCGKJLOZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O2/c18-16(19,20)14(26)10-8-11(15(27)17(21,22)23)13(25-6-1-2-7-25)12-9(10)4-3-5-24-12/h3-5,8H,1-2,6-7H2.
What are the key properties of 2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone?
2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone has a molecular weight of 390.28 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone is sourced from PubChem (CID 10916138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).