2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide

C20H15F4N3O2 — CID 60545039

IUPAC2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)NCC(F)(F)F
InChIInChI=1S/C20H15F4N3O2/c21-13-7-5-12(6-8-13)17-9-15(14-3-1-2-4-16(14)27-17)19(29)25-10-18(28)26-11-20(22,23)24/h1-9H,10-11H2,(H,25,29)(H,26,28)
InChIKeyULJXJPLPXGBMIT-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.45
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide

2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide (PubChem CID 60545039) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide
PubChem CID60545039
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC Name2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)NCC(F)(F)F
InChIInChI=1S/C20H15F4N3O2/c21-13-7-5-12(6-8-13)17-9-15(14-3-1-2-4-16(14)27-17)19(29)25-10-18(28)26-11-20(22,23)24/h1-9H,10-11H2,(H,25,29)(H,26,28)
InChIKeyULJXJPLPXGBMIT-UHFFFAOYSA-N
XLogP3.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
CID 9079495
2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 24612009
2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
CID 9163082
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 2092256
2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 7535347
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46541669
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2128183
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 24542876

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide (CID 60545039) is 2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide is O=C(CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)NCC(F)(F)F.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide?
The InChIKey is ULJXJPLPXGBMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2/c21-13-7-5-12(6-8-13)17-9-15(14-3-1-2-4-16(14)27-17)19(29)25-10-18(28)26-11-20(22,23)24/h1-9H,10-11H2,(H,25,29)(H,26,28).
What are the key properties of 2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide?
2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide has a molecular weight of 405.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 60545039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).