3-(quinolin-8-ylmethoxy)benzaldehyde

C17H13NO2 — CID 28775093

IUPAC3-(quinolin-8-ylmethoxy)benzaldehyde
SMILESO=Cc1cccc(OCc2cccc3cccnc23)c1
InChIInChI=1S/C17H13NO2/c19-11-13-4-1-8-16(10-13)20-12-15-6-2-5-14-7-3-9-18-17(14)15/h1-11H,12H2
InChIKeyUSGXSEGWRSGISO-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.63
Rot. Bonds4

About 3-(quinolin-8-ylmethoxy)benzaldehyde

3-(quinolin-8-ylmethoxy)benzaldehyde (PubChem CID 28775093) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(quinolin-8-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-(quinolin-8-ylmethoxy)benzaldehyde
PubChem CID28775093
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name3-(quinolin-8-ylmethoxy)benzaldehyde
SMILESO=Cc1cccc(OCc2cccc3cccnc23)c1
InChIInChI=1S/C17H13NO2/c19-11-13-4-1-8-16(10-13)20-12-15-6-2-5-14-7-3-9-18-17(14)15/h1-11H,12H2
InChIKeyUSGXSEGWRSGISO-UHFFFAOYSA-N
XLogP3.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 141490494
3-(quinolin-8-ylmethoxy)benzenecarbothioamide
CID 28775042
8-[(4-bromophenoxy)methyl]quinoline
CID 28775084
3-bromo-5-(quinolin-8-ylmethoxy)aniline
CID 103588108
5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde
CID 43244328
6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde
CID 78929085
3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde
CID 78994185
3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde
CID 102974979
3-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde
CID 708792
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3-(fluoromethoxy)benzaldehyde
CID 22718686
3-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzaldehyde
CID 9368529

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-8-ylmethoxy)benzaldehyde?
The IUPAC name of 3-(quinolin-8-ylmethoxy)benzaldehyde (CID 28775093) is 3-(quinolin-8-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-(quinolin-8-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-(quinolin-8-ylmethoxy)benzaldehyde is O=Cc1cccc(OCc2cccc3cccnc23)c1.
What is the InChIKey of 3-(quinolin-8-ylmethoxy)benzaldehyde?
The InChIKey is USGXSEGWRSGISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-11-13-4-1-8-16(10-13)20-12-15-6-2-5-14-7-3-9-18-17(14)15/h1-11H,12H2.
What are the key properties of 3-(quinolin-8-ylmethoxy)benzaldehyde?
3-(quinolin-8-ylmethoxy)benzaldehyde has a molecular weight of 263.30 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-8-ylmethoxy)benzaldehyde is sourced from PubChem (CID 28775093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).