4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid

C16H12FNO2 — CID 142786731

IUPAC4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2F)CC=Nc2ccccc21
InChIInChI=1S/C16H12FNO2/c17-13-7-3-1-5-11(13)16(15(19)20)9-10-18-14-8-4-2-6-12(14)16/h1-8,10H,9H2,(H,19,20)
InChIKeyUSHJRHOCURBICK-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.30
Rot. Bonds2

About 4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid

4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid (PubChem CID 142786731) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid
PubChem CID142786731
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2F)CC=Nc2ccccc21
InChIInChI=1S/C16H12FNO2/c17-13-7-3-1-5-11(13)16(15(19)20)9-10-18-14-8-4-2-6-12(14)16/h1-8,10H,9H2,(H,19,20)
InChIKeyUSHJRHOCURBICK-UHFFFAOYSA-N
XLogP3.30
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid (CID 142786731) is 4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid is O=C(O)C1(c2ccccc2F)CC=Nc2ccccc21.
What is the InChIKey of 4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid?
The InChIKey is USHJRHOCURBICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-13-7-3-1-5-11(13)16(15(19)20)9-10-18-14-8-4-2-6-12(14)16/h1-8,10H,9H2,(H,19,20).
What are the key properties of 4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid?
4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3H-quinoline-4-carboxylic acid is sourced from PubChem (CID 142786731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).