3-ethoxyquinoline-2-carbaldehyde

C12H11NO2 — CID 177169665

IUPAC3-ethoxyquinoline-2-carbaldehyde
SMILESCCOc1cc2ccccc2nc1C=O
InChIInChI=1S/C12H11NO2/c1-2-15-12-7-9-5-3-4-6-10(9)13-11(12)8-14/h3-8H,2H2,1H3
InChIKeyWFCKOQJJKCRJGP-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.45
Rot. Bonds3

About 3-ethoxyquinoline-2-carbaldehyde

3-ethoxyquinoline-2-carbaldehyde (PubChem CID 177169665) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-ethoxyquinoline-2-carbaldehyde.

Molecular Properties

Compound Name3-ethoxyquinoline-2-carbaldehyde
PubChem CID177169665
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name3-ethoxyquinoline-2-carbaldehyde
SMILESCCOc1cc2ccccc2nc1C=O
InChIInChI=1S/C12H11NO2/c1-2-15-12-7-9-5-3-4-6-10(9)13-11(12)8-14/h3-8H,2H2,1H3
InChIKeyWFCKOQJJKCRJGP-UHFFFAOYSA-N
XLogP2.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.45
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-ethoxynaphthalene-2-carbaldehyde
CID 131351894
3-methylquinoline-2-carbaldehyde
CID 22832126
3-(methoxymethyl)quinoline-2-carbaldehyde
CID 11816500
(2-ethoxyquinolin-3-yl) hydrogen carbonate
CID 70534566
2-ethoxy-3-iodoquinoline
CID 122494291
(2-ethoxyquinolin-3-yl)-trimethylsilane
CID 174326687
3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride
CID 68554141
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
4-ethoxy-2-phenylquinoline
CID 14954061
2-ethoxy-N-methylquinolin-3-amine
CID 174800672
3-benzoylquinoline-2-carbaldehyde;ethane;methane
CID 159716405
3-methylquinoxaline-2-carbaldehyde
CID 588800

Frequently Asked Questions

What is the IUPAC name of 3-ethoxyquinoline-2-carbaldehyde?
The IUPAC name of 3-ethoxyquinoline-2-carbaldehyde (CID 177169665) is 3-ethoxyquinoline-2-carbaldehyde.
What is the SMILES notation for 3-ethoxyquinoline-2-carbaldehyde?
The canonical SMILES for 3-ethoxyquinoline-2-carbaldehyde is CCOc1cc2ccccc2nc1C=O.
What is the InChIKey of 3-ethoxyquinoline-2-carbaldehyde?
The InChIKey is WFCKOQJJKCRJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-15-12-7-9-5-3-4-6-10(9)13-11(12)8-14/h3-8H,2H2,1H3.
What are the key properties of 3-ethoxyquinoline-2-carbaldehyde?
3-ethoxyquinoline-2-carbaldehyde has a molecular weight of 201.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyquinoline-2-carbaldehyde is sourced from PubChem (CID 177169665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).