5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde

C16H9BrFNO — CID 58368654

IUPAC5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde
SMILESO=Cc1cc(Br)c2cccnc2c1-c1cccc(F)c1
InChIInChI=1S/C16H9BrFNO/c17-14-8-11(9-20)15(10-3-1-4-12(18)7-10)16-13(14)5-2-6-19-16/h1-9H
InChIKeySVQMYVXZJRUYBP-UHFFFAOYSA-N
MW330.16 g/mol
LogP4.62
Rot. Bonds2

About 5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde

5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde (PubChem CID 58368654) has the molecular formula C16H9BrFNO and a molecular weight of 330.16 g/mol. Its IUPAC name is 5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde.

Molecular Properties

Compound Name5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde
PubChem CID58368654
Molecular FormulaC16H9BrFNO
Molecular Weight330.16 g/mol
Exact Mass328.99
IUPAC Name5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde
SMILESO=Cc1cc(Br)c2cccnc2c1-c1cccc(F)c1
InChIInChI=1S/C16H9BrFNO/c17-14-8-11(9-20)15(10-3-1-4-12(18)7-10)16-13(14)5-2-6-19-16/h1-9H
InChIKeySVQMYVXZJRUYBP-UHFFFAOYSA-N
XLogP4.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde?
The IUPAC name of 5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde (CID 58368654) is 5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde.
What is the SMILES notation for 5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde?
The canonical SMILES for 5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde is O=Cc1cc(Br)c2cccnc2c1-c1cccc(F)c1.
What is the InChIKey of 5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde?
The InChIKey is SVQMYVXZJRUYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFNO/c17-14-8-11(9-20)15(10-3-1-4-12(18)7-10)16-13(14)5-2-6-19-16/h1-9H.
What are the key properties of 5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde?
5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde has a molecular weight of 330.16 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-(3-fluorophenyl)quinoline-7-carbaldehyde is sourced from PubChem (CID 58368654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).