methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate

C11H7F2NO3 — CID 168754201

IUPACmethyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1c(F)cc2[nH]ccc(=O)c2c1F
InChIInChI=1S/C11H7F2NO3/c1-17-11(16)8-5(12)4-6-9(10(8)13)7(15)2-3-14-6/h2-4H,1H3,(H,14,15)
InChIKeyPBKUCQVXENTFHB-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.59
Rot. Bonds1

About methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate

methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate (PubChem CID 168754201) has the molecular formula C11H7F2NO3 and a molecular weight of 239.18 g/mol. Its IUPAC name is methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate
PubChem CID168754201
Molecular FormulaC11H7F2NO3
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Namemethyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1c(F)cc2[nH]ccc(=O)c2c1F
InChIInChI=1S/C11H7F2NO3/c1-17-11(16)8-5(12)4-6-9(10(8)13)7(15)2-3-14-6/h2-4H,1H3,(H,14,15)
InChIKeyPBKUCQVXENTFHB-UHFFFAOYSA-N
XLogP1.59
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7-trifluoro-1H-quinolin-4-one
CID 62813764
methyl 2,6-difluoro-3-methylbenzoate
CID 55255639
methyl 2,3,6-trifluoro-4-hydroxybenzoate
CID 131118987
methyl 2-fluoro-4,6-diiodobenzoate
CID 130766583
methyl 2,6-difluoro-3-methyl-4-(trifluoromethyl)benzoate
CID 154645474
methyl 4-acetamido-2,3,6-trifluorobenzoate
CID 162354663
methyl 6-fluoro-1H-indole-4-carboxylate
CID 46835634
methyl 6-fluoro-5-(4-fluoro-3-isocyanophenoxy)-1H-indole-4-carboxylate
CID 176798897
methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate
CID 131850530
methyl 5-bromo-1H-indole-4-carboxylate
CID 71045794
methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 102614566
methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate
CID 67228187

Frequently Asked Questions

What is the IUPAC name of methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate (CID 168754201) is methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate is COC(=O)c1c(F)cc2[nH]ccc(=O)c2c1F.
What is the InChIKey of methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate?
The InChIKey is PBKUCQVXENTFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO3/c1-17-11(16)8-5(12)4-6-9(10(8)13)7(15)2-3-14-6/h2-4H,1H3,(H,14,15).
What are the key properties of methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate?
methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate has a molecular weight of 239.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,7-difluoro-4-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 168754201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).