ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate

C17H10ClF4N3O3 — CID 54318442

IUPACethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2cc(N)c(F)c(F)c2F)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C17H10ClF4N3O3/c1-2-28-17(27)7-5-25(10-4-9(23)11(20)13(22)12(10)21)16-6(14(7)26)3-8(19)15(18)24-16/h3-5H,2,23H2,1H3
InChIKeySPWSZNAXRLIERY-UHFFFAOYSA-N
MW415.73 g/mol
LogP3.35
Rot. Bonds3

About ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 54318442) has the molecular formula C17H10ClF4N3O3 and a molecular weight of 415.73 g/mol. Its IUPAC name is ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID54318442
Molecular FormulaC17H10ClF4N3O3
Molecular Weight415.73 g/mol
Exact Mass415.03
IUPAC Nameethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2cc(N)c(F)c(F)c2F)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C17H10ClF4N3O3/c1-2-28-17(27)7-5-25(10-4-9(23)11(20)13(22)12(10)21)16-6(14(7)26)3-8(19)15(18)24-16/h3-5H,2,23H2,1H3
InChIKeySPWSZNAXRLIERY-UHFFFAOYSA-N
XLogP3.35
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.73
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 7-chloro-1-(2,4-difluoro-5-formamidophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 54467666
ethyl 1-(1,3-benzothiazol-2-yl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 10938318
(3-amino-3-methylazetidin-1-yl) 1-(5-amino-2,4-difluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 57268969
ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 135355077
1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 22441073
ethyl 8-chloro-1-(2,4-difluoro-5-formamidophenyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 54054955
ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 134181833
1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10893526
ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 142434761
7-chloro-6-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 19939831
ethyl 6,7,8-trifluoro-1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylate
CID 23359023
ethyl 7-ethenyl-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 15636889

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate (CID 54318442) is ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2cc(N)c(F)c(F)c2F)c2nc(Cl)c(F)cc2c1=O.
What is the InChIKey of ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is SPWSZNAXRLIERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF4N3O3/c1-2-28-17(27)7-5-25(10-4-9(23)11(20)13(22)12(10)21)16-6(14(7)26)3-8(19)15(18)24-16/h3-5H,2,23H2,1H3.
What are the key properties of ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 415.73 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 54318442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).