4-(3-fluorophenoxy)cinnoline-3-carboxylic acid

C15H9FN2O3 — CID 64623305

IUPAC4-(3-fluorophenoxy)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1Oc1cccc(F)c1
InChIInChI=1S/C15H9FN2O3/c16-9-4-3-5-10(8-9)21-14-11-6-1-2-7-12(11)17-18-13(14)15(19)20/h1-8H,(H,19,20)
InChIKeyDCVSXVSDICAENA-UHFFFAOYSA-N
MW284.25 g/mol
LogP3.26
Rot. Bonds3

About 4-(3-fluorophenoxy)cinnoline-3-carboxylic acid

4-(3-fluorophenoxy)cinnoline-3-carboxylic acid (PubChem CID 64623305) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenoxy)cinnoline-3-carboxylic acid
PubChem CID64623305
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name4-(3-fluorophenoxy)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1Oc1cccc(F)c1
InChIInChI=1S/C15H9FN2O3/c16-9-4-3-5-10(8-9)21-14-11-6-1-2-7-12(11)17-18-13(14)15(19)20/h1-8H,(H,19,20)
InChIKeyDCVSXVSDICAENA-UHFFFAOYSA-N
XLogP3.26
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-difluoroethoxy)cinnoline-3-carboxylic acid
CID 82004731
4-amino-6-fluorocinnoline-3-carboxylic acid
CID 3074774
4-(3,3,3-trifluoropropoxy)cinnoline-3-carboxylic acid
CID 82955204
2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53215227
2-fluoro-5-(3-fluorophenoxy)benzoic acid
CID 170721916
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
4-(chloromethyl)-2-(3-fluorophenoxy)quinoline
CID 61268986
2-cyclopropyl-3-ethenyl-4-(3-fluorophenoxy)quinoline
CID 141286092
[3-carbamoyl-1-(3-fluorophenoxy)isoquinolin-4-yl] acetate
CID 91524725
5-(3-fluorophenoxy)carbonylthiadiazole-4-carboxylic acid
CID 117214763
4-(oxan-4-yloxy)cinnoline-3-carboxylic acid
CID 64622887
1-(3-fluorophenoxy)-4-phenylphthalazine
CID 22011922

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)cinnoline-3-carboxylic acid?
The IUPAC name of 4-(3-fluorophenoxy)cinnoline-3-carboxylic acid (CID 64623305) is 4-(3-fluorophenoxy)cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenoxy)cinnoline-3-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenoxy)cinnoline-3-carboxylic acid is O=C(O)c1nnc2ccccc2c1Oc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenoxy)cinnoline-3-carboxylic acid?
The InChIKey is DCVSXVSDICAENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-9-4-3-5-10(8-9)21-14-11-6-1-2-7-12(11)17-18-13(14)15(19)20/h1-8H,(H,19,20).
What are the key properties of 4-(3-fluorophenoxy)cinnoline-3-carboxylic acid?
4-(3-fluorophenoxy)cinnoline-3-carboxylic acid has a molecular weight of 284.25 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)cinnoline-3-carboxylic acid is sourced from PubChem (CID 64623305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).