5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid

C14H8ClNO3 — CID 14006738

IUPAC5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nc2cccc(Cl)c12
InChIInChI=1S/C14H8ClNO3/c15-9-3-1-4-10-13(9)8(14(17)18)7-11(16-10)12-5-2-6-19-12/h1-7H,(H,17,18)
InChIKeyLQOVBHSWZOWLBY-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.85
Rot. Bonds2

About 5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid

5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid (PubChem CID 14006738) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
PubChem CID14006738
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nc2cccc(Cl)c12
InChIInChI=1S/C14H8ClNO3/c15-9-3-1-4-10-13(9)8(14(17)18)7-11(16-10)12-5-2-6-19-12/h1-7H,(H,17,18)
InChIKeyLQOVBHSWZOWLBY-UHFFFAOYSA-N
XLogP3.85
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 3853520
2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid
CID 3494841
[2-(2-chloroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2337988
N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 8011201
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4124660
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799
1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one
CID 149146668
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 55808329
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2361920
2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 168527201

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid (CID 14006738) is 5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccco2)nc2cccc(Cl)c12.
What is the InChIKey of 5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid?
The InChIKey is LQOVBHSWZOWLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-9-3-1-4-10-13(9)8(14(17)18)7-11(16-10)12-5-2-6-19-12/h1-7H,(H,17,18).
What are the key properties of 5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid?
5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid has a molecular weight of 273.68 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 14006738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).