ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate

C21H18F3N3O4 — CID 16804712

IUPACethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC(=O)Nc2ccccc2C(F)(F)F)c2nc(C)ccc2c1=O
InChIInChI=1S/C21H18F3N3O4/c1-3-31-20(30)14-10-27(19-13(18(14)29)9-8-12(2)25-19)11-17(28)26-16-7-5-4-6-15(16)21(22,23)24/h4-10H,3,11H2,1-2H3,(H,26,28)
InChIKeyAFSHROCTGCIBPH-UHFFFAOYSA-N
MW433.39 g/mol
LogP3.54
Rot. Bonds5

About ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate

ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate (PubChem CID 16804712) has the molecular formula C21H18F3N3O4 and a molecular weight of 433.39 g/mol. Its IUPAC name is ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate
PubChem CID16804712
Molecular FormulaC21H18F3N3O4
Molecular Weight433.39 g/mol
Exact Mass433.12
IUPAC Nameethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC(=O)Nc2ccccc2C(F)(F)F)c2nc(C)ccc2c1=O
InChIInChI=1S/C21H18F3N3O4/c1-3-31-20(30)14-10-27(19-13(18(14)29)9-8-12(2)25-19)11-17(28)26-16-7-5-4-6-15(16)21(22,23)24/h4-10H,3,11H2,1-2H3,(H,26,28)
InChIKeyAFSHROCTGCIBPH-UHFFFAOYSA-N
XLogP3.54
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940917
2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20929556
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940891
ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940896
ethyl 2-[[2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetyl]amino]benzoate
CID 20929680
methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 18592071
ethyl 1-[(2-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940937
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940970
methyl 1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940951
ethyl 7-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 84584071
[2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23909864
N-(2-chlorophenyl)-2-[3-(2-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929862

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate (CID 16804712) is ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CC(=O)Nc2ccccc2C(F)(F)F)c2nc(C)ccc2c1=O.
What is the InChIKey of ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate?
The InChIKey is AFSHROCTGCIBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O4/c1-3-31-20(30)14-10-27(19-13(18(14)29)9-8-12(2)25-19)11-17(28)26-16-7-5-4-6-15(16)21(22,23)24/h4-10H,3,11H2,1-2H3,(H,26,28).
What are the key properties of ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate?
ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate has a molecular weight of 433.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 16804712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).