3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid

C15H10FNO3S — CID 63336089

IUPAC3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCc1cc(F)cc2cccnc12
InChIInChI=1S/C15H10FNO3S/c16-11-6-9-2-1-4-17-13(9)10(7-11)8-20-12-3-5-21-14(12)15(18)19/h1-7H,8H2,(H,18,19)
InChIKeyWSTKTQXYIAMZAO-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.71
Rot. Bonds4

About 3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid

3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 63336089) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is 3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID63336089
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCc1cc(F)cc2cccnc12
InChIInChI=1S/C15H10FNO3S/c16-11-6-9-2-1-4-17-13(9)10(7-11)8-20-12-3-5-21-14(12)15(18)19/h1-7H,8H2,(H,18,19)
InChIKeyWSTKTQXYIAMZAO-UHFFFAOYSA-N
XLogP3.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 105369830
3-[(5-fluoro-2-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336092
3-[(4-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 114345680
3-[(5-fluoro-2-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63338489
3-[(2,3,4,5,6-pentafluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 63335962
3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63338580
3-(quinolin-2-ylmethoxy)thiophene-2-carboxylic acid
CID 63338487
8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline
CID 38829933
4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile
CID 38827522
3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336500
3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63336486
methyl 2-[(6-fluoroquinolin-8-yl)methyl-methylamino]acetate
CID 60970098

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid (CID 63336089) is 3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid is O=C(O)c1sccc1OCc1cc(F)cc2cccnc12.
What is the InChIKey of 3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is WSTKTQXYIAMZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c16-11-6-9-2-1-4-17-13(9)10(7-11)8-20-12-3-5-21-14(12)15(18)19/h1-7H,8H2,(H,18,19).
What are the key properties of 3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid?
3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63336089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).