methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate

C17H12FNO4 — CID 134603747

IUPACmethyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(Oc3ccc(F)cc3)cc2c1=O
InChIInChI=1S/C17H12FNO4/c1-22-17(21)14-9-19-15-7-6-12(8-13(15)16(14)20)23-11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)
InChIKeyIMIAJZOAYDJPDG-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.25
Rot. Bonds3

About methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate

methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 134603747) has the molecular formula C17H12FNO4 and a molecular weight of 313.28 g/mol. Its IUPAC name is methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate
PubChem CID134603747
Molecular FormulaC17H12FNO4
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Namemethyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(Oc3ccc(F)cc3)cc2c1=O
InChIInChI=1S/C17H12FNO4/c1-22-17(21)14-9-19-15-7-6-12(8-13(15)16(14)20)23-11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)
InChIKeyIMIAJZOAYDJPDG-UHFFFAOYSA-N
XLogP3.25
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-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

Decoquinate
CID 29112
Nequinate
CID 26383
Buquinolate
CID 21651
1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 1476756
6-(Trifluoromethoxy)-4-quinolinol
CID 2775104
6-Methoxy-2-phenyl-4-quinolone
CID 124348
Ethyl 6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 228284
4-Hydroxy-8-methoxyquinoline-3-carboxylic acid
CID 255290
6-Ethoxy-4-hydroxy-quinoline-3-carboxylic acid benzylamide
CID 18473135
methyl 7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 135126777
methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877893
methyl 4-oxo-7-(3-phenylpropoxy)-1H-quinoline-3-carboxylate
CID 140877936

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate (CID 134603747) is methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate is COC(=O)c1c[nH]c2ccc(Oc3ccc(F)cc3)cc2c1=O.
What is the InChIKey of methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is IMIAJZOAYDJPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4/c1-22-17(21)14-9-19-15-7-6-12(8-13(15)16(14)20)23-11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20).
What are the key properties of methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate?
methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 313.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-fluorophenoxy)-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 134603747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).