3-quinolin-7-yloxypropanal

C12H11NO2 — CID 107314214

IUPAC3-quinolin-7-yloxypropanal
SMILESO=CCCOc1ccc2cccnc2c1
InChIInChI=1S/C12H11NO2/c14-7-2-8-15-11-5-4-10-3-1-6-13-12(10)9-11/h1,3-7,9H,2,8H2
InChIKeyWMBQCFCRZMQZCZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.20
Rot. Bonds4

About 3-quinolin-7-yloxypropanal

3-quinolin-7-yloxypropanal (PubChem CID 107314214) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-quinolin-7-yloxypropanal.

Molecular Properties

Compound Name3-quinolin-7-yloxypropanal
PubChem CID107314214
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name3-quinolin-7-yloxypropanal
SMILESO=CCCOc1ccc2cccnc2c1
InChIInChI=1S/C12H11NO2/c14-7-2-8-15-11-5-4-10-3-1-6-13-12(10)9-11/h1,3-7,9H,2,8H2
InChIKeyWMBQCFCRZMQZCZ-UHFFFAOYSA-N
XLogP2.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-quinolin-7-yloxypropanal 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

3-quinolin-7-yloxypropane-1-thiol
CID 107315768
N-ethyl-2-quinolin-7-yloxyethanamine
CID 107313475
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
7-(3-azidopropoxy)quinoline
CID 107314475
5-amino-1-(2-quinolin-7-yloxyethyl)pyridin-2-one
CID 107313309
N',N'-dimethyl-N-(2-quinolin-7-yloxyethyl)ethane-1,2-diamine
CID 107315215
2-quinolin-7-ylacetaldehyde
CID 22630864
2-(methylamino)-3-quinolin-7-yloxypropanoic acid
CID 107314757
2-(methylamino)-4-quinolin-7-yloxybutan-1-ol
CID 107315572
7-(2-bromoethoxy)quinoline;1,2-dibromoethane;quinolin-7-ol
CID 159602221
N-(3-quinolin-7-yloxypropyl)aniline
CID 107315213
7-(2,2-diethoxyethoxy)quinoline
CID 107314200

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-7-yloxypropanal?
The IUPAC name of 3-quinolin-7-yloxypropanal (CID 107314214) is 3-quinolin-7-yloxypropanal.
What is the SMILES notation for 3-quinolin-7-yloxypropanal?
The canonical SMILES for 3-quinolin-7-yloxypropanal is O=CCCOc1ccc2cccnc2c1.
What is the InChIKey of 3-quinolin-7-yloxypropanal?
The InChIKey is WMBQCFCRZMQZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-7-2-8-15-11-5-4-10-3-1-6-13-12(10)9-11/h1,3-7,9H,2,8H2.
What are the key properties of 3-quinolin-7-yloxypropanal?
3-quinolin-7-yloxypropanal has a molecular weight of 201.22 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-7-yloxypropanal is sourced from PubChem (CID 107314214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).