2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C23H20F3N3O3 — CID 17251158

IUPAC2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)15-6-5-7-16(12-15)27-20(30)14-29-19-9-2-1-8-17(19)18(13-21(29)31)22(32)28-10-3-4-11-28/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,27,30)
InChIKeyZTVLXBNSRWGFMZ-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.89
Rot. Bonds4

About 2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 17251158) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID17251158
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)15-6-5-7-16(12-15)27-20(30)14-29-19-9-2-1-8-17(19)18(13-21(29)31)22(32)28-10-3-4-11-28/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,27,30)
InChIKeyZTVLXBNSRWGFMZ-UHFFFAOYSA-N
XLogP3.89
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 17251158) is 2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZTVLXBNSRWGFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c24-23(25,26)15-6-5-7-16(12-15)27-20(30)14-29-19-9-2-1-8-17(19)18(13-21(29)31)22(32)28-10-3-4-11-28/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,27,30).
What are the key properties of 2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 443.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(pyrrolidine-1-carbonyl)quinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 17251158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).