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

C17H11ClF2N2O3 — CID 135355077

IUPACethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2c(F)cccc2F)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C17H11ClF2N2O3/c1-2-25-17(24)10-8-22(14-11(19)4-3-5-12(14)20)16-9(15(10)23)6-7-13(18)21-16/h3-8H,2H2,1H3
InChIKeyGZOAMSVXJMEYEG-UHFFFAOYSA-N
MW364.74 g/mol
LogP3.49
Rot. Bonds3

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

ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 135355077) has the molecular formula C17H11ClF2N2O3 and a molecular weight of 364.74 g/mol. Its IUPAC name is ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID135355077
Molecular FormulaC17H11ClF2N2O3
Molecular Weight364.74 g/mol
Exact Mass364.04
IUPAC Nameethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2c(F)cccc2F)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C17H11ClF2N2O3/c1-2-25-17(24)10-8-22(14-11(19)4-3-5-12(14)20)16-9(15(10)23)6-7-13(18)21-16/h3-8H,2H2,1H3
InChIKeyGZOAMSVXJMEYEG-UHFFFAOYSA-N
XLogP3.49
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.74
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 7-chloro-1-(2,6-difluorophenyl)-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

ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 134181833
ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 142434761
CID 145440043
CID 145440043
7-chloro-1-(2,6-difluorophenyl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 135354944
7-chloro-1-(2-chloro-6-fluorophenyl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 135354802
7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135354811
ethyl 1-[(2-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940937
ethyl 1-(1,3-benzothiazol-2-yl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 10938318
ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 54318442
ethyl 6-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 170073021
ethyl 4-chloro-1-(2,6-difluorophenyl)pyrazole-3-carboxylate
CID 155290443
ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 50790358

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate (CID 135355077) is ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2c(F)cccc2F)c2nc(Cl)ccc2c1=O.
What is the InChIKey of ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is GZOAMSVXJMEYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O3/c1-2-25-17(24)10-8-22(14-11(19)4-3-5-12(14)20)16-9(15(10)23)6-7-13(18)21-16/h3-8H,2H2,1H3.
What are the key properties of ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 364.74 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 135355077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).