ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate

C27H21F3N2O4 — CID 46298787

IUPACethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C27H21F3N2O4/c1-2-35-26(34)18-11-12-22-21(13-18)24(15-23(32-22)17-7-4-3-5-8-17)36-16-25(33)31-20-10-6-9-19(14-20)27(28,29)30/h3-15H,2,16H2,1H3,(H,31,33)
InChIKeyQYEPJMLGRJWBLR-UHFFFAOYSA-N
MW494.47 g/mol
LogP6.11
Rot. Bonds7

About ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate

ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate (PubChem CID 46298787) has the molecular formula C27H21F3N2O4 and a molecular weight of 494.47 g/mol. Its IUPAC name is ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate
PubChem CID46298787
Molecular FormulaC27H21F3N2O4
Molecular Weight494.47 g/mol
Exact Mass494.15
IUPAC Nameethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C27H21F3N2O4/c1-2-35-26(34)18-11-12-22-21(13-18)24(15-23(32-22)17-7-4-3-5-8-17)36-16-25(33)31-20-10-6-9-19(14-20)27(28,29)30/h3-15H,2,16H2,1H3,(H,31,33)
InChIKeyQYEPJMLGRJWBLR-UHFFFAOYSA-N
XLogP6.11
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.47
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate 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

ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-2-phenylquinoline-6-carboxylate
CID 46298757
ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate
CID 46298739
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]-2-phenylquinoline-6-carboxylate
CID 46298759
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
ethyl 4-[2-(3,4-difluoroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298723
ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate
CID 46298743
ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298879
ethyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298724
ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298722
ethyl 4-[2-(benzylamino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298865
2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide
CID 46298801
N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298896

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate?
The IUPAC name of ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate (CID 46298787) is ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate?
The canonical SMILES for ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate is CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate?
The InChIKey is QYEPJMLGRJWBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N2O4/c1-2-35-26(34)18-11-12-22-21(13-18)24(15-23(32-22)17-7-4-3-5-8-17)36-16-25(33)31-20-10-6-9-19(14-20)27(28,29)30/h3-15H,2,16H2,1H3,(H,31,33).
What are the key properties of ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate?
ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate has a molecular weight of 494.47 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate is sourced from PubChem (CID 46298787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).