methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate

C11H8FNO3 — CID 11390401

IUPACmethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C11H8FNO3/c1-16-11(15)9-5-10(14)7-4-6(12)2-3-8(7)13-9/h2-5H,1H3,(H,13,14)
InChIKeyBESDSRIEDPEFRN-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.45
Rot. Bonds1

About methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate

methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 11390401) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
PubChem CID11390401
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Namemethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C11H8FNO3/c1-16-11(15)9-5-10(14)7-4-6(12)2-3-8(7)13-9/h2-5H,1H3,(H,13,14)
InChIKeyBESDSRIEDPEFRN-UHFFFAOYSA-N
XLogP1.45
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate (CID 11390401) is methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate is COC(=O)c1cc(=O)c2cc(F)ccc2[nH]1.
What is the InChIKey of methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is BESDSRIEDPEFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c1-16-11(15)9-5-10(14)7-4-6(12)2-3-8(7)13-9/h2-5H,1H3,(H,13,14).
What are the key properties of methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 221.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 11390401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).