3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid

C24H14FNO3 — CID 1015909

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccc3ccccc3c12
InChIInChI=1S/C24H14FNO3/c25-18-8-4-3-7-16(18)21-11-12-22(29-21)20-13-17(24(27)28)23-15-6-2-1-5-14(15)9-10-19(23)26-20/h1-13H,(H,27,28)
InChIKeyAZYSDFSSHMWMCK-UHFFFAOYSA-N
MW383.38 g/mol
LogP6.15
Rot. Bonds3

About 3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid

3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid (PubChem CID 1015909) has the molecular formula C24H14FNO3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid
PubChem CID1015909
Molecular FormulaC24H14FNO3
Molecular Weight383.38 g/mol
Exact Mass383.10
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccc3ccccc3c12
InChIInChI=1S/C24H14FNO3/c25-18-8-4-3-7-16(18)21-11-12-22(29-21)20-13-17(24(27)28)23-15-6-2-1-5-14(15)9-10-19(23)26-20/h1-13H,(H,27,28)
InChIKeyAZYSDFSSHMWMCK-UHFFFAOYSA-N
XLogP6.15
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.38
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid (CID 1015909) is 3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccc3ccccc3c12.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid?
The InChIKey is AZYSDFSSHMWMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14FNO3/c25-18-8-4-3-7-16(18)21-11-12-22(29-21)20-13-17(24(27)28)23-15-6-2-1-5-14(15)9-10-19(23)26-20/h1-13H,(H,27,28).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid?
3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid has a molecular weight of 383.38 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid is sourced from PubChem (CID 1015909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).