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

C14H8ClNO3 — CID 3853520

IUPAC8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nc2c(Cl)cccc12
InChIInChI=1S/C14H8ClNO3/c15-10-4-1-3-8-9(14(17)18)7-11(16-13(8)10)12-5-2-6-19-12/h1-7H,(H,17,18)
InChIKeyCCGVQHQIJOPNNV-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.85
Rot. Bonds2

About 8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid

8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid (PubChem CID 3853520) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
PubChem CID3853520
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nc2c(Cl)cccc12
InChIInChI=1S/C14H8ClNO3/c15-10-4-1-3-8-9(14(17)18)7-11(16-13(8)10)12-5-2-6-19-12/h1-7H,(H,17,18)
InChIKeyCCGVQHQIJOPNNV-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)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
CID 67206871
5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 14006738
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone
CID 133133594
8-chloro-2-(furan-2-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)quinoline-4-carboxamide
CID 72866594
2-(5-bromo-1-benzofuran-2-yl)-8-chloroquinoline-4-carboxylic acid
CID 4265645
8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5014562
8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide
CID 156607428
2-carbamoyl-8-chloroquinoline-4-carboxylic acid
CID 118172273
8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide
CID 97130383
8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
CID 4603899
8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
CID 18729725
2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid
CID 3494841

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid (CID 3853520) is 8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccco2)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid?
The InChIKey is CCGVQHQIJOPNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-10-4-1-3-8-9(14(17)18)7-11(16-13(8)10)12-5-2-6-19-12/h1-7H,(H,17,18).
What are the key properties of 8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid?
8-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 8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3853520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).