ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate

C17H10F4N2O3 — CID 10406564

IUPACethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(F)c(F)cc2c1=O
InChIInChI=1S/C17H10F4N2O3/c1-2-26-17(25)10-7-23(13-4-3-8(18)5-11(13)19)16-9(14(10)24)6-12(20)15(21)22-16/h3-7H,2H2,1H3
InChIKeyQAECISMGQFEKGU-UHFFFAOYSA-N
MW366.27 g/mol
LogP3.12
Rot. Bonds3

About ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 10406564) has the molecular formula C17H10F4N2O3 and a molecular weight of 366.27 g/mol. Its IUPAC name is ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID10406564
Molecular FormulaC17H10F4N2O3
Molecular Weight366.27 g/mol
Exact Mass366.06
IUPAC Nameethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(F)c(F)cc2c1=O
InChIInChI=1S/C17H10F4N2O3/c1-2-26-17(25)10-7-23(13-4-3-8(18)5-11(13)19)16-9(14(10)24)6-12(20)15(21)22-16/h3-7H,2H2,1H3
InChIKeyQAECISMGQFEKGU-UHFFFAOYSA-N
XLogP3.12
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate (CID 10406564) is ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(F)c(F)cc2c1=O.
What is the InChIKey of ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is QAECISMGQFEKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O3/c1-2-26-17(25)10-7-23(13-4-3-8(18)5-11(13)19)16-9(14(10)24)6-12(20)15(21)22-16/h3-7H,2H2,1H3.
What are the key properties of ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 366.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 10406564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).