2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate

C13H12FNO4 — CID 137439125

IUPAC2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate
SMILESCOCCOC(=O)c1cc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C13H12FNO4/c1-18-4-5-19-13(17)10-7-8-6-9(14)2-3-11(8)15-12(10)16/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyMPIYLHCGQDCMKJ-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.47
Rot. Bonds4

About 2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate

2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 137439125) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate
PubChem CID137439125
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate
SMILESCOCCOC(=O)c1cc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C13H12FNO4/c1-18-4-5-19-13(17)10-7-8-6-9(14)2-3-11(8)15-12(10)16/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyMPIYLHCGQDCMKJ-UHFFFAOYSA-N
XLogP1.47
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54684458
2-Quinolone-3-carboxylic acid
CID 332488
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 677051
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 664543
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
CID 945916
Ethyl 4-(hexylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 658207
Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249
Ethyl 2-oxo-4-(piperidin-1-yl)-1,2-dihydroquinoline-3-carboxylate
CID 913206
Ethyl 4-(butylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 652591
Ethyl 4-{[2-(dimethylamino)ethyl]amino}-2-hydroxyquinoline-3-carboxylate
CID 913126
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl propanoate
CID 663849

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of 2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate (CID 137439125) is 2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate is COCCOC(=O)c1cc2cc(F)ccc2[nH]c1=O.
What is the InChIKey of 2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is MPIYLHCGQDCMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-18-4-5-19-13(17)10-7-8-6-9(14)2-3-11(8)15-12(10)16/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate?
2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 265.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 137439125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).