3-(methoxymethyl)quinoline-2-carbaldehyde

C12H11NO2 — CID 11816500

IUPAC3-(methoxymethyl)quinoline-2-carbaldehyde
SMILESCOCc1cc2ccccc2nc1C=O
InChIInChI=1S/C12H11NO2/c1-15-8-10-6-9-4-2-3-5-11(9)13-12(10)7-14/h2-7H,8H2,1H3
InChIKeyAVEASPOBIOWEMP-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.19
Rot. Bonds3

About 3-(methoxymethyl)quinoline-2-carbaldehyde

3-(methoxymethyl)quinoline-2-carbaldehyde (PubChem CID 11816500) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(methoxymethyl)quinoline-2-carbaldehyde.

Molecular Properties

Compound Name3-(methoxymethyl)quinoline-2-carbaldehyde
PubChem CID11816500
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name3-(methoxymethyl)quinoline-2-carbaldehyde
SMILESCOCc1cc2ccccc2nc1C=O
InChIInChI=1S/C12H11NO2/c1-15-8-10-6-9-4-2-3-5-11(9)13-12(10)7-14/h2-7H,8H2,1H3
InChIKeyAVEASPOBIOWEMP-UHFFFAOYSA-N
XLogP2.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.19
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-methylquinoline-2-carbaldehyde
CID 22832126
3-ethoxyquinoline-2-carbaldehyde
CID 177169665
3-(methoxymethyl)pyridine-2-carbaldehyde
CID 87637871
2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol
CID 158310859
1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
CID 119106670
2-chloro-3-(2-methoxyethoxymethyl)quinoline
CID 54938690
9-(methoxymethyl)phenanthrene
CID 15557052
3-benzoylquinoline-2-carbaldehyde;ethane;methane
CID 159716405
3-methylquinoxaline-2-carbaldehyde
CID 588800
3-(methoxymethyl)naphthalene-2-carboxylic acid
CID 132596930
2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde
CID 61451313
1-[2-methoxy-6-[3-(methoxymethyl)quinolin-2-yl]-3-methyl-4-pyridinyl]propan-1-one
CID 10970160

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)quinoline-2-carbaldehyde?
The IUPAC name of 3-(methoxymethyl)quinoline-2-carbaldehyde (CID 11816500) is 3-(methoxymethyl)quinoline-2-carbaldehyde.
What is the SMILES notation for 3-(methoxymethyl)quinoline-2-carbaldehyde?
The canonical SMILES for 3-(methoxymethyl)quinoline-2-carbaldehyde is COCc1cc2ccccc2nc1C=O.
What is the InChIKey of 3-(methoxymethyl)quinoline-2-carbaldehyde?
The InChIKey is AVEASPOBIOWEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-8-10-6-9-4-2-3-5-11(9)13-12(10)7-14/h2-7H,8H2,1H3.
What are the key properties of 3-(methoxymethyl)quinoline-2-carbaldehyde?
3-(methoxymethyl)quinoline-2-carbaldehyde has a molecular weight of 201.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)quinoline-2-carbaldehyde is sourced from PubChem (CID 11816500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).