2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid

C18H14FNO2 — CID 152680980

IUPAC2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2cnc3ccccc3c2)c(F)c1
InChIInChI=1S/C18H14FNO2/c1-11(18(21)22)12-6-7-15(16(19)9-12)14-8-13-4-2-3-5-17(13)20-10-14/h2-11H,1H3,(H,21,22)
InChIKeyZNNOHXPKJQSBPT-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.23
Rot. Bonds3

About 2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid

2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid (PubChem CID 152680980) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid
PubChem CID152680980
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2cnc3ccccc3c2)c(F)c1
InChIInChI=1S/C18H14FNO2/c1-11(18(21)22)12-6-7-15(16(19)9-12)14-8-13-4-2-3-5-17(13)20-10-14/h2-11H,1H3,(H,21,22)
InChIKeyZNNOHXPKJQSBPT-UHFFFAOYSA-N
XLogP4.23
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid?
The IUPAC name of 2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid (CID 152680980) is 2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid?
The canonical SMILES for 2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid is CC(C(=O)O)c1ccc(-c2cnc3ccccc3c2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid?
The InChIKey is ZNNOHXPKJQSBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c1-11(18(21)22)12-6-7-15(16(19)9-12)14-8-13-4-2-3-5-17(13)20-10-14/h2-11H,1H3,(H,21,22).
What are the key properties of 2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid?
2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid has a molecular weight of 295.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-quinolin-3-ylphenyl)propanoic acid is sourced from PubChem (CID 152680980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).