methyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate

C12H12FNO4 — CID 68637567

IUPACmethyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate
SMILESCOC(=O)C1=Nc2cc(OC)ccc2C(O)(F)C1
InChIInChI=1S/C12H12FNO4/c1-17-7-3-4-8-9(5-7)14-10(11(15)18-2)6-12(8,13)16/h3-5,16H,6H2,1-2H3
InChIKeyJFLGQTKPIXDYKZ-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.46
Rot. Bonds2

About methyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate

methyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate (PubChem CID 68637567) has the molecular formula C12H12FNO4 and a molecular weight of 253.23 g/mol. Its IUPAC name is methyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate
PubChem CID68637567
Molecular FormulaC12H12FNO4
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Namemethyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate
SMILESCOC(=O)C1=Nc2cc(OC)ccc2C(O)(F)C1
InChIInChI=1S/C12H12FNO4/c1-17-7-3-4-8-9(5-7)14-10(11(15)18-2)6-12(8,13)16/h3-5,16H,6H2,1-2H3
InChIKeyJFLGQTKPIXDYKZ-UHFFFAOYSA-N
XLogP1.46
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate?
The IUPAC name of methyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate (CID 68637567) is methyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate?
The canonical SMILES for methyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate is COC(=O)C1=Nc2cc(OC)ccc2C(O)(F)C1.
What is the InChIKey of methyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate?
The InChIKey is JFLGQTKPIXDYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4/c1-17-7-3-4-8-9(5-7)14-10(11(15)18-2)6-12(8,13)16/h3-5,16H,6H2,1-2H3.
What are the key properties of methyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate?
methyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate has a molecular weight of 253.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-4-hydroxy-7-methoxy-3H-quinoline-2-carboxylate is sourced from PubChem (CID 68637567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).