ethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate

C18H23BrFN3O3 — CID 177160284

IUPACethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate
SMILESCCOC(=O)Cn1c(CC)c(N(CC)CC)c(=O)c2nc(Br)c(F)cc21
InChIInChI=1S/C18H23BrFN3O3/c1-5-12-16(22(6-2)7-3)17(25)15-13(9-11(20)18(19)21-15)23(12)10-14(24)26-8-4/h9H,5-8,10H2,1-4H3
InChIKeyVWPCATREONVOCG-UHFFFAOYSA-N
MW428.30 g/mol
LogP3.27
Rot. Bonds7

About ethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate

ethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate (PubChem CID 177160284) has the molecular formula C18H23BrFN3O3 and a molecular weight of 428.30 g/mol. Its IUPAC name is ethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate
PubChem CID177160284
Molecular FormulaC18H23BrFN3O3
Molecular Weight428.30 g/mol
Exact Mass427.09
IUPAC Nameethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate
SMILESCCOC(=O)Cn1c(CC)c(N(CC)CC)c(=O)c2nc(Br)c(F)cc21
InChIInChI=1S/C18H23BrFN3O3/c1-5-12-16(22(6-2)7-3)17(25)15-13(9-11(20)18(19)21-15)23(12)10-14(24)26-8-4/h9H,5-8,10H2,1-4H3
InChIKeyVWPCATREONVOCG-UHFFFAOYSA-N
XLogP3.27
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate 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 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate (CID 177160284) is ethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate is CCOC(=O)Cn1c(CC)c(N(CC)CC)c(=O)c2nc(Br)c(F)cc21.
What is the InChIKey of ethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate?
The InChIKey is VWPCATREONVOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrFN3O3/c1-5-12-16(22(6-2)7-3)17(25)15-13(9-11(20)18(19)21-15)23(12)10-14(24)26-8-4/h9H,5-8,10H2,1-4H3.
What are the key properties of ethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate?
ethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate has a molecular weight of 428.30 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-bromo-3-(diethylamino)-2-ethyl-7-fluoro-4-oxo-1,5-naphthyridin-1-yl]acetate is sourced from PubChem (CID 177160284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).