2-quinolin-7-ylacetaldehyde

C11H9NO — CID 22630864

IUPAC2-quinolin-7-ylacetaldehyde
SMILESO=CCc1ccc2cccnc2c1
InChIInChI=1S/C11H9NO/c13-7-5-9-3-4-10-2-1-6-12-11(10)8-9/h1-4,6-8H,5H2
InChIKeyRUAUWSRXJBYNSH-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.98
Rot. Bonds2

About 2-quinolin-7-ylacetaldehyde

2-quinolin-7-ylacetaldehyde (PubChem CID 22630864) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-quinolin-7-ylacetaldehyde.

Molecular Properties

Compound Name2-quinolin-7-ylacetaldehyde
PubChem CID22630864
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name2-quinolin-7-ylacetaldehyde
SMILESO=CCc1ccc2cccnc2c1
InChIInChI=1S/C11H9NO/c13-7-5-9-3-4-10-2-1-6-12-11(10)8-9/h1-4,6-8H,5H2
InChIKeyRUAUWSRXJBYNSH-UHFFFAOYSA-N
XLogP1.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-7-ylacetaldehyde?
The IUPAC name of 2-quinolin-7-ylacetaldehyde (CID 22630864) is 2-quinolin-7-ylacetaldehyde.
What is the SMILES notation for 2-quinolin-7-ylacetaldehyde?
The canonical SMILES for 2-quinolin-7-ylacetaldehyde is O=CCc1ccc2cccnc2c1.
What is the InChIKey of 2-quinolin-7-ylacetaldehyde?
The InChIKey is RUAUWSRXJBYNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c13-7-5-9-3-4-10-2-1-6-12-11(10)8-9/h1-4,6-8H,5H2.
What are the key properties of 2-quinolin-7-ylacetaldehyde?
2-quinolin-7-ylacetaldehyde has a molecular weight of 171.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-7-ylacetaldehyde is sourced from PubChem (CID 22630864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).