ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate

C15H15FN2O4 — CID 90362983

IUPACethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate
SMILESCCOC(=O)C(C(C)=O)c1c(F)cnc2ccc(OC)nc12
InChIInChI=1S/C15H15FN2O4/c1-4-22-15(20)12(8(2)19)13-9(16)7-17-10-5-6-11(21-3)18-14(10)13/h5-7,12H,4H2,1-3H3
InChIKeyWCGVYSZDAYLZKV-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.01
Rot. Bonds5

About ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate

ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate (PubChem CID 90362983) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate.

Molecular Properties

Compound Nameethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate
PubChem CID90362983
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Nameethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate
SMILESCCOC(=O)C(C(C)=O)c1c(F)cnc2ccc(OC)nc12
InChIInChI=1S/C15H15FN2O4/c1-4-22-15(20)12(8(2)19)13-9(16)7-17-10-5-6-11(21-3)18-14(10)13/h5-7,12H,4H2,1-3H3
InChIKeyWCGVYSZDAYLZKV-UHFFFAOYSA-N
XLogP2.01
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate 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

3-butan-2-yloxy-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopropanoic acid
CID 67131048
[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate
CID 177226897
ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate
CID 66736918
ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate
CID 68630515
ethyl (2S)-2-bromo-3-(7-fluoro-2-methoxyquinolin-8-yl)propanoate
CID 87522904
[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
CID 71152833
ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate
CID 68631923
butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate
CID 169088316
7-fluoro-2-methoxy-8-(2-phenylethyl)-1,5-naphthyridine
CID 141180436
tert-butyl N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]-2-thiabicyclo[2.2.2]octan-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 71181501
tert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate
CID 67131153
2,7-dimethoxy-8-methyl-1,5-naphthyridine
CID 90365423

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate?
The IUPAC name of ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate (CID 90362983) is ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate.
What is the SMILES notation for ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate?
The canonical SMILES for ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate is CCOC(=O)C(C(C)=O)c1c(F)cnc2ccc(OC)nc12.
What is the InChIKey of ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate?
The InChIKey is WCGVYSZDAYLZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-4-22-15(20)12(8(2)19)13-9(16)7-17-10-5-6-11(21-3)18-14(10)13/h5-7,12H,4H2,1-3H3.
What are the key properties of ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate?
ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate has a molecular weight of 306.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate is sourced from PubChem (CID 90362983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).