2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid

C20H12FNO3 — CID 698505

IUPAC2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(F)cc3)o2)nc2ccccc12
InChIInChI=1S/C20H12FNO3/c21-13-7-5-12(6-8-13)18-9-10-19(25-18)17-11-15(20(23)24)14-3-1-2-4-16(14)22-17/h1-11H,(H,23,24)
InChIKeyQNUJPPMEIZVUHQ-UHFFFAOYSA-N
MW333.32 g/mol
LogP5.00
Rot. Bonds3

About 2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid

2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid (PubChem CID 698505) has the molecular formula C20H12FNO3 and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid
PubChem CID698505
Molecular FormulaC20H12FNO3
Molecular Weight333.32 g/mol
Exact Mass333.08
IUPAC Name2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(F)cc3)o2)nc2ccccc12
InChIInChI=1S/C20H12FNO3/c21-13-7-5-12(6-8-13)18-9-10-19(25-18)17-11-15(20(23)24)14-3-1-2-4-16(14)22-17/h1-11H,(H,23,24)
InChIKeyQNUJPPMEIZVUHQ-UHFFFAOYSA-N
XLogP5.00
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid (CID 698505) is 2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccc(F)cc3)o2)nc2ccccc12.
What is the InChIKey of 2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid?
The InChIKey is QNUJPPMEIZVUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO3/c21-13-7-5-12(6-8-13)18-9-10-19(25-18)17-11-15(20(23)24)14-3-1-2-4-16(14)22-17/h1-11H,(H,23,24).
What are the key properties of 2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid?
2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid has a molecular weight of 333.32 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 698505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).