ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate

C13H12FNO3 — CID 129247905

IUPACethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)c(F)cc2c1
InChIInChI=1S/C13H12FNO3/c1-3-18-13(16)9-4-8-5-10(14)12(17-2)6-11(8)15-7-9/h4-7H,3H2,1-2H3
InChIKeyCZEGAAIGLBVIFU-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.56
Rot. Bonds3

About ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate

ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate (PubChem CID 129247905) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
PubChem CID129247905
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Nameethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)c(F)cc2c1
InChIInChI=1S/C13H12FNO3/c1-3-18-13(16)9-4-8-5-10(14)12(17-2)6-11(8)15-7-9/h4-7H,3H2,1-2H3
InChIKeyCZEGAAIGLBVIFU-UHFFFAOYSA-N
XLogP2.56
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-(dimethylamino)-6-fluoroquinoline-3-carboxylate
CID 129247650
ethyl 7-ethenyl-6-fluoroquinoline-3-carboxylate
CID 129247870
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate
CID 10042684
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
ethyl 8-fluoroquinoline-3-carboxylate
CID 15525332
ethyl 8-methoxy-1,5-naphthyridine-3-carboxylate
CID 59256763
ethyl 6-(dimethylamino)quinoline-3-carboxylate
CID 150996261
ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate
CID 158875379
ethyl 3-amino-8-methoxyquinoline-6-carboxylate
CID 156872720
(3,4-dimethoxyphenyl) 6,7-dimethoxyquinoline-3-carboxylate
CID 154447229

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate (CID 129247905) is ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OC)c(F)cc2c1.
What is the InChIKey of ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate?
The InChIKey is CZEGAAIGLBVIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-3-18-13(16)9-4-8-5-10(14)12(17-2)6-11(8)15-7-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate?
ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate has a molecular weight of 249.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 129247905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).