6-fluoro-8-methoxyquinoline-4-carboxylic acid

C11H8FNO3 — CID 102941769

IUPAC6-fluoro-8-methoxyquinoline-4-carboxylic acid
SMILESCOc1cc(F)cc2c(C(=O)O)ccnc12
InChIInChI=1S/C11H8FNO3/c1-16-9-5-6(12)4-8-7(11(14)15)2-3-13-10(8)9/h2-5H,1H3,(H,14,15)
InChIKeyZOODAONCNBOJFQ-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.08
Rot. Bonds2

About 6-fluoro-8-methoxyquinoline-4-carboxylic acid

6-fluoro-8-methoxyquinoline-4-carboxylic acid (PubChem CID 102941769) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is 6-fluoro-8-methoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-8-methoxyquinoline-4-carboxylic acid
PubChem CID102941769
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Name6-fluoro-8-methoxyquinoline-4-carboxylic acid
SMILESCOc1cc(F)cc2c(C(=O)O)ccnc12
InChIInChI=1S/C11H8FNO3/c1-16-9-5-6(12)4-8-7(11(14)15)2-3-13-10(8)9/h2-5H,1H3,(H,14,15)
InChIKeyZOODAONCNBOJFQ-UHFFFAOYSA-N
XLogP2.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methoxyquinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-8-methoxyquinoline-4-carboxylic acid (CID 102941769) is 6-fluoro-8-methoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-8-methoxyquinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-8-methoxyquinoline-4-carboxylic acid is COc1cc(F)cc2c(C(=O)O)ccnc12.
What is the InChIKey of 6-fluoro-8-methoxyquinoline-4-carboxylic acid?
The InChIKey is ZOODAONCNBOJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c1-16-9-5-6(12)4-8-7(11(14)15)2-3-13-10(8)9/h2-5H,1H3,(H,14,15).
What are the key properties of 6-fluoro-8-methoxyquinoline-4-carboxylic acid?
6-fluoro-8-methoxyquinoline-4-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 102941769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).