6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid

C17H13FN2O2 — CID 175960412

IUPAC6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid
SMILESCC(c1ccc2nccc(C(=O)O)c2c1)c1ncccc1F
InChIInChI=1S/C17H13FN2O2/c1-10(16-14(18)3-2-7-20-16)11-4-5-15-13(9-11)12(17(21)22)6-8-19-15/h2-10H,1H3,(H,21,22)
InChIKeyRPXCHIYYJRKEPT-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.62
Rot. Bonds3

About 6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid

6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid (PubChem CID 175960412) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid
PubChem CID175960412
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid
SMILESCC(c1ccc2nccc(C(=O)O)c2c1)c1ncccc1F
InChIInChI=1S/C17H13FN2O2/c1-10(16-14(18)3-2-7-20-16)11-4-5-15-13(9-11)12(17(21)22)6-8-19-15/h2-10H,1H3,(H,21,22)
InChIKeyRPXCHIYYJRKEPT-UHFFFAOYSA-N
XLogP3.62
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethylquinoline-4-carboxylic acid
CID 83527113
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
6-aminoquinoline-4-carboxylic acid;dihydrochloride
CID 171397441
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
7-(1-methoxyethyl)quinoline-4-carboxylic acid
CID 170539827
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
2-acetyl-1,7-phenanthroline-4-carboxylic acid
CID 175126800
7-fluoroquinoline-4-carboxylic acid
CID 18475507
7-fluoroquinoline-6-carboxylic acid
CID 77174821
1-propan-2-ylisoquinoline-5-carboxylic acid
CID 178019104
6-fluoroquinoline-7-carboxylic acid
CID 175475921
2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid
CID 104571788

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid (CID 175960412) is 6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid is CC(c1ccc2nccc(C(=O)O)c2c1)c1ncccc1F.
What is the InChIKey of 6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid?
The InChIKey is RPXCHIYYJRKEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-10(16-14(18)3-2-7-20-16)11-4-5-15-13(9-11)12(17(21)22)6-8-19-15/h2-10H,1H3,(H,21,22).
What are the key properties of 6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid?
6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-fluoro-2-pyridinyl)ethyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 175960412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).