dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate

C14H12FNO5 — CID 134913493

IUPACdimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate
SMILESCOC(=O)c1[nH]c2cc(F)c(C)cc2c(=O)c1C(=O)OC
InChIInChI=1S/C14H12FNO5/c1-6-4-7-9(5-8(6)15)16-11(14(19)21-3)10(12(7)17)13(18)20-2/h4-5H,1-3H3,(H,16,17)
InChIKeyWDAJRLAHSKLVHD-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.55
Rot. Bonds2

About dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate

dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate (PubChem CID 134913493) has the molecular formula C14H12FNO5 and a molecular weight of 293.25 g/mol. Its IUPAC name is dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate
PubChem CID134913493
Molecular FormulaC14H12FNO5
Molecular Weight293.25 g/mol
Exact Mass293.07
IUPAC Namedimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate
SMILESCOC(=O)c1[nH]c2cc(F)c(C)cc2c(=O)c1C(=O)OC
InChIInChI=1S/C14H12FNO5/c1-6-4-7-9(5-8(6)15)16-11(14(19)21-3)10(12(7)17)13(18)20-2/h4-5H,1-3H3,(H,16,17)
InChIKeyWDAJRLAHSKLVHD-UHFFFAOYSA-N
XLogP1.55
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate 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

dimethyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-2,3-dicarboxylate
CID 18929856
methyl 6-fluoro-3-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methyl-1H-indole-2-carboxylate
CID 141482034
methyl 6,7-difluoro-2-(2-fluoroethylsulfanyl)-4-oxo-1H-quinoline-3-carboxylate
CID 22438200
dimethyl 5,6,7-trichloro-4-oxo-1H-quinoline-2,3-dicarboxylate
CID 18929910
methyl 2-fluoro-4,6-diiodobenzoate
CID 130766583
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
2-O-ethyl 3-O-methyl 5-fluoro-1H-indole-2,3-dicarboxylate
CID 138980470
6-O-ethyl 2-O-methyl 3-benzoyl-4-oxo-1H-quinoline-2,6-dicarboxylate
CID 1208018
dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
CID 58929029
methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
5-fluoro-6-methyl-1H-indole-2-carboxylic acid;methyl 5-fluoro-6-methyl-1H-indole-2-carboxylate
CID 160768064
methyl 3,5-difluoro-1H-indole-2-carboxylate
CID 139034030

Frequently Asked Questions

What is the IUPAC name of dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate?
The IUPAC name of dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate (CID 134913493) is dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate?
The canonical SMILES for dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate is COC(=O)c1[nH]c2cc(F)c(C)cc2c(=O)c1C(=O)OC.
What is the InChIKey of dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate?
The InChIKey is WDAJRLAHSKLVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5/c1-6-4-7-9(5-8(6)15)16-11(14(19)21-3)10(12(7)17)13(18)20-2/h4-5H,1-3H3,(H,16,17).
What are the key properties of dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate?
dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate has a molecular weight of 293.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-fluoro-6-methyl-4-oxo-1H-quinoline-2,3-dicarboxylate is sourced from PubChem (CID 134913493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).