3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde

C17H12FNO2 — CID 103850104

IUPAC3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCc2ccc3ccccc3n2)c(F)c1
InChIInChI=1S/C17H12FNO2/c18-15-9-12(10-20)5-8-17(15)21-11-14-7-6-13-3-1-2-4-16(13)19-14/h1-10H,11H2
InChIKeySCGZHMPAJYABQP-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.77
Rot. Bonds4

About 3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde

3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde (PubChem CID 103850104) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde
PubChem CID103850104
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCc2ccc3ccccc3n2)c(F)c1
InChIInChI=1S/C17H12FNO2/c18-15-9-12(10-20)5-8-17(15)21-11-14-7-6-13-3-1-2-4-16(13)19-14/h1-10H,11H2
InChIKeySCGZHMPAJYABQP-UHFFFAOYSA-N
XLogP3.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691442
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 107689523
3-fluoro-4-(4-phenylbutoxy)benzaldehyde
CID 107689474
[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
CID 103850077
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
2-(quinolin-2-ylmethoxy)benzoate
CID 6919840
3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 107689490
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
CID 104707445

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde?
The IUPAC name of 3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde (CID 103850104) is 3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde is O=Cc1ccc(OCc2ccc3ccccc3n2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde?
The InChIKey is SCGZHMPAJYABQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-15-9-12(10-20)5-8-17(15)21-11-14-7-6-13-3-1-2-4-16(13)19-14/h1-10H,11H2.
What are the key properties of 3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde?
3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde has a molecular weight of 281.29 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 103850104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).