methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate

C11H7BrFNO3 — CID 176988559

IUPACmethyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccc(Br)c(F)c2[nH]c1=O
InChIInChI=1S/C11H7BrFNO3/c1-17-11(16)6-4-5-2-3-7(12)8(13)9(5)14-10(6)15/h2-4H,1H3,(H,14,15)
InChIKeyBULAOOLQEDRYRI-UHFFFAOYSA-N
MW300.08 g/mol
LogP2.22
Rot. Bonds1

About methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate

methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 176988559) has the molecular formula C11H7BrFNO3 and a molecular weight of 300.08 g/mol. Its IUPAC name is methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate
PubChem CID176988559
Molecular FormulaC11H7BrFNO3
Molecular Weight300.08 g/mol
Exact Mass298.96
IUPAC Namemethyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccc(Br)c(F)c2[nH]c1=O
InChIInChI=1S/C11H7BrFNO3/c1-17-11(16)6-4-5-2-3-7(12)8(13)9(5)14-10(6)15/h2-4H,1H3,(H,14,15)
InChIKeyBULAOOLQEDRYRI-UHFFFAOYSA-N
XLogP2.22
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate (CID 176988559) is methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate is COC(=O)c1cc2ccc(Br)c(F)c2[nH]c1=O.
What is the InChIKey of methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is BULAOOLQEDRYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO3/c1-17-11(16)6-4-5-2-3-7(12)8(13)9(5)14-10(6)15/h2-4H,1H3,(H,14,15).
What are the key properties of methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate?
methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 300.08 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 176988559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).