ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate

C14H15BrN2O4 — CID 87918822

IUPACethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CCOC)c2cnc(Br)cc2c1=O
InChIInChI=1S/C14H15BrN2O4/c1-3-21-14(19)10-8-17(4-5-20-2)11-7-16-12(15)6-9(11)13(10)18/h6-8H,3-5H2,1-2H3
InChIKeyUJADNALRWLMULU-UHFFFAOYSA-N
MW355.19 g/mol
LogP1.98
Rot. Bonds5

About ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate

ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate (PubChem CID 87918822) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate
PubChem CID87918822
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Nameethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CCOC)c2cnc(Br)cc2c1=O
InChIInChI=1S/C14H15BrN2O4/c1-3-21-14(19)10-8-17(4-5-20-2)11-7-16-12(15)6-9(11)13(10)18/h6-8H,3-5H2,1-2H3
InChIKeyUJADNALRWLMULU-UHFFFAOYSA-N
XLogP1.98
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-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 6-bromo-1-(2-morpholin-4-ylethyl)-4-oxo-1,7-naphthyridine-3-carboxylate
CID 87918848
ethyl 6-bromo-1-[(1-methylimidazol-4-yl)methyl]-4-oxo-1,7-naphthyridine-3-carboxylate
CID 86665055
ethyl 6-bromo-4-oxo-1-(pyridin-4-ylmethyl)-1,7-naphthyridine-3-carboxylate
CID 87918839
ethyl 6-iodo-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxylate
CID 59415779
6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylic acid;ethyl 6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylate;methane;phosphane
CID 163541939
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654
ethyl 6-bromo-1-[(2,4-dimethylphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 94674276
ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate
CID 10850045
ethyl 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate
CID 143904177
ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 744481
CID 89004727
CID 89004727
ethyl 6-amino-1-ethyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13041126

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate (CID 87918822) is ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CCOC)c2cnc(Br)cc2c1=O.
What is the InChIKey of ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate?
The InChIKey is UJADNALRWLMULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-3-21-14(19)10-8-17(4-5-20-2)11-7-16-12(15)6-9(11)13(10)18/h6-8H,3-5H2,1-2H3.
What are the key properties of ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate?
ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate has a molecular weight of 355.19 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 87918822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).