2-quinolin-5-yloxyacetaldehyde

C11H9NO2 — CID 103045247

IUPAC2-quinolin-5-yloxyacetaldehyde
SMILESO=CCOc1cccc2ncccc12
InChIInChI=1S/C11H9NO2/c13-7-8-14-11-5-1-4-10-9(11)3-2-6-12-10/h1-7H,8H2
InChIKeyUISLNGKVCSJWSN-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.81
Rot. Bonds3

About 2-quinolin-5-yloxyacetaldehyde

2-quinolin-5-yloxyacetaldehyde (PubChem CID 103045247) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-quinolin-5-yloxyacetaldehyde.

Molecular Properties

Compound Name2-quinolin-5-yloxyacetaldehyde
PubChem CID103045247
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-quinolin-5-yloxyacetaldehyde
SMILESO=CCOc1cccc2ncccc12
InChIInChI=1S/C11H9NO2/c13-7-8-14-11-5-1-4-10-9(11)3-2-6-12-10/h1-7H,8H2
InChIKeyUISLNGKVCSJWSN-UHFFFAOYSA-N
XLogP1.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-quinolin-5-yloxyacetaldehyde 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-quinolin-5-yloxybenzaldehyde
CID 103045116
4-(2-quinolin-5-yloxyethoxy)aniline
CID 103044211
O-quinolin-5-ylhydroxylamine;hydrochloride
CID 162421843
5-(9-bromononoxy)quinoline
CID 103044601
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109
2-chloro-6-quinolin-5-yloxybenzaldehyde
CID 103045107
6-quinolin-5-yloxyhexane-1-sulfonamide
CID 103046001
5-[amino(quinolin-5-yloxy)phosphanyl]oxyquinoline
CID 175462388
5-(3-bromo-2-methylpropoxy)quinoline
CID 103044584
3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
CID 103045848
4-chloro-2-quinolin-5-yloxybenzaldehyde
CID 103045115

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-5-yloxyacetaldehyde?
The IUPAC name of 2-quinolin-5-yloxyacetaldehyde (CID 103045247) is 2-quinolin-5-yloxyacetaldehyde.
What is the SMILES notation for 2-quinolin-5-yloxyacetaldehyde?
The canonical SMILES for 2-quinolin-5-yloxyacetaldehyde is O=CCOc1cccc2ncccc12.
What is the InChIKey of 2-quinolin-5-yloxyacetaldehyde?
The InChIKey is UISLNGKVCSJWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-7-8-14-11-5-1-4-10-9(11)3-2-6-12-10/h1-7H,8H2.
What are the key properties of 2-quinolin-5-yloxyacetaldehyde?
2-quinolin-5-yloxyacetaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-5-yloxyacetaldehyde is sourced from PubChem (CID 103045247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).