methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate

C11H7F2NO3 — CID 102614566

IUPACmethyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(F)cc(F)c2c1=O
InChIInChI=1S/C11H7F2NO3/c1-17-11(16)6-4-14-8-3-5(12)2-7(13)9(8)10(6)15/h2-4H,1H3,(H,14,15)
InChIKeyXNYPGZYTPRGCPQ-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.59
Rot. Bonds1

About methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate

methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 102614566) 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-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
PubChem CID102614566
Molecular FormulaC11H7F2NO3
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Namemethyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(F)cc(F)c2c1=O
InChIInChI=1S/C11H7F2NO3/c1-17-11(16)6-4-14-8-3-5(12)2-7(13)9(8)10(6)15/h2-4H,1H3,(H,14,15)
InChIKeyXNYPGZYTPRGCPQ-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

5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39851635
propan-2-yl 4-[(5,7-difluoro-4-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 39850297
5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39850308
methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
CID 135396956
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
methyl 3,5-difluoro-2-methylbenzoate
CID 74890536
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 115050494
methyl 6-fluoro-1H-indole-4-carboxylate
CID 46835634
methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate
CID 102614340
methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 119084145
methyl 3-bromo-5-fluoro-4-oxo-1H-quinoline-6-carboxylate
CID 166772116
dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate
CID 126633344

Frequently Asked Questions

What is the IUPAC name of methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate (CID 102614566) is methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate is COC(=O)c1c[nH]c2cc(F)cc(F)c2c1=O.
What is the InChIKey of methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is XNYPGZYTPRGCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO3/c1-17-11(16)6-4-14-8-3-5(12)2-7(13)9(8)10(6)15/h2-4H,1H3,(H,14,15).
What are the key properties of methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate?
methyl 5,7-difluoro-4-oxo-1H-quinoline-3-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-3-carboxylate is sourced from PubChem (CID 102614566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).