ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C20H17F2N3O4 — CID 20940896

IUPACethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC(=O)Nc2cc(F)ccc2F)c2nc(C)ccc2c1=O
InChIInChI=1S/C20H17F2N3O4/c1-3-29-20(28)14-9-25(19-13(18(14)27)6-4-11(2)23-19)10-17(26)24-16-8-12(21)5-7-15(16)22/h4-9H,3,10H2,1-2H3,(H,24,26)
InChIKeyPLSFEKXUGIKJEC-UHFFFAOYSA-N
MW401.37 g/mol
LogP2.80
Rot. Bonds5

About ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 20940896) has the molecular formula C20H17F2N3O4 and a molecular weight of 401.37 g/mol. Its IUPAC name is ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID20940896
Molecular FormulaC20H17F2N3O4
Molecular Weight401.37 g/mol
Exact Mass401.12
IUPAC Nameethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC(=O)Nc2cc(F)ccc2F)c2nc(C)ccc2c1=O
InChIInChI=1S/C20H17F2N3O4/c1-3-29-20(28)14-9-25(19-13(18(14)27)6-4-11(2)23-19)10-17(26)24-16-8-12(21)5-7-15(16)22/h4-9H,3,10H2,1-2H3,(H,24,26)
InChIKeyPLSFEKXUGIKJEC-UHFFFAOYSA-N
XLogP2.80
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-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

methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940970
ethyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940917
ethyl 2-[[2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetyl]amino]benzoate
CID 20929680
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940891
ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate
CID 16804712
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 20929630
ethyl 3-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238552
N-(2,4-difluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929759
ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 50790358
N-(3,4-difluorophenyl)-2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929669
methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 18592071
N-(2,5-dimethoxyphenyl)-2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929658

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 20940896) is ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CC(=O)Nc2cc(F)ccc2F)c2nc(C)ccc2c1=O.
What is the InChIKey of ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is PLSFEKXUGIKJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O4/c1-3-29-20(28)14-9-25(19-13(18(14)27)6-4-11(2)23-19)10-17(26)24-16-8-12(21)5-7-15(16)22/h4-9H,3,10H2,1-2H3,(H,24,26).
What are the key properties of ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 401.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,5-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 20940896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).