3-(3-fluorophenyl)quinoline-6-carboxylic acid

C16H10FNO2 — CID 18788518

IUPAC3-(3-fluorophenyl)quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2ncc(-c3cccc(F)c3)cc2c1
InChIInChI=1S/C16H10FNO2/c17-14-3-1-2-10(8-14)13-7-12-6-11(16(19)20)4-5-15(12)18-9-13/h1-9H,(H,19,20)
InChIKeyBZHKVDZXSZIBNA-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.74
Rot. Bonds2

About 3-(3-fluorophenyl)quinoline-6-carboxylic acid

3-(3-fluorophenyl)quinoline-6-carboxylic acid (PubChem CID 18788518) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-(3-fluorophenyl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)quinoline-6-carboxylic acid
PubChem CID18788518
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name3-(3-fluorophenyl)quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2ncc(-c3cccc(F)c3)cc2c1
InChIInChI=1S/C16H10FNO2/c17-14-3-1-2-10(8-14)13-7-12-6-11(16(19)20)4-5-15(12)18-9-13/h1-9H,(H,19,20)
InChIKeyBZHKVDZXSZIBNA-UHFFFAOYSA-N
XLogP3.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)quinoline-6-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)quinoline-6-carboxylic acid (CID 18788518) is 3-(3-fluorophenyl)quinoline-6-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)quinoline-6-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)quinoline-6-carboxylic acid is O=C(O)c1ccc2ncc(-c3cccc(F)c3)cc2c1.
What is the InChIKey of 3-(3-fluorophenyl)quinoline-6-carboxylic acid?
The InChIKey is BZHKVDZXSZIBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-14-3-1-2-10(8-14)13-7-12-6-11(16(19)20)4-5-15(12)18-9-13/h1-9H,(H,19,20).
What are the key properties of 3-(3-fluorophenyl)quinoline-6-carboxylic acid?
3-(3-fluorophenyl)quinoline-6-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)quinoline-6-carboxylic acid is sourced from PubChem (CID 18788518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).