4-fluoro-3-quinolin-7-ylbenzaldehyde

C16H10FNO — CID 81224437

IUPAC4-fluoro-3-quinolin-7-ylbenzaldehyde
SMILESO=Cc1ccc(F)c(-c2ccc3cccnc3c2)c1
InChIInChI=1S/C16H10FNO/c17-15-6-3-11(10-19)8-14(15)13-5-4-12-2-1-7-18-16(12)9-13/h1-10H
InChIKeyVJUFRNZERTWMBR-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.85
Rot. Bonds2

About 4-fluoro-3-quinolin-7-ylbenzaldehyde

4-fluoro-3-quinolin-7-ylbenzaldehyde (PubChem CID 81224437) has the molecular formula C16H10FNO and a molecular weight of 251.26 g/mol. Its IUPAC name is 4-fluoro-3-quinolin-7-ylbenzaldehyde.

Molecular Properties

Compound Name4-fluoro-3-quinolin-7-ylbenzaldehyde
PubChem CID81224437
Molecular FormulaC16H10FNO
Molecular Weight251.26 g/mol
Exact Mass251.07
IUPAC Name4-fluoro-3-quinolin-7-ylbenzaldehyde
SMILESO=Cc1ccc(F)c(-c2ccc3cccnc3c2)c1
InChIInChI=1S/C16H10FNO/c17-15-6-3-11(10-19)8-14(15)13-5-4-12-2-1-7-18-16(12)9-13/h1-10H
InChIKeyVJUFRNZERTWMBR-UHFFFAOYSA-N
XLogP3.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-3-quinolin-7-ylbenzaldehyde 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 4-fluoro-3-quinolin-7-ylbenzaldehyde?
The IUPAC name of 4-fluoro-3-quinolin-7-ylbenzaldehyde (CID 81224437) is 4-fluoro-3-quinolin-7-ylbenzaldehyde.
What is the SMILES notation for 4-fluoro-3-quinolin-7-ylbenzaldehyde?
The canonical SMILES for 4-fluoro-3-quinolin-7-ylbenzaldehyde is O=Cc1ccc(F)c(-c2ccc3cccnc3c2)c1.
What is the InChIKey of 4-fluoro-3-quinolin-7-ylbenzaldehyde?
The InChIKey is VJUFRNZERTWMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO/c17-15-6-3-11(10-19)8-14(15)13-5-4-12-2-1-7-18-16(12)9-13/h1-10H.
What are the key properties of 4-fluoro-3-quinolin-7-ylbenzaldehyde?
4-fluoro-3-quinolin-7-ylbenzaldehyde has a molecular weight of 251.26 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-quinolin-7-ylbenzaldehyde is sourced from PubChem (CID 81224437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).