2-methoxyquinoline-3-carbaldehyde

C11H9NO2 — CID 838868

IUPAC2-methoxyquinoline-3-carbaldehyde
SMILESCOc1nc2ccccc2cc1C=O
InChIInChI=1S/C11H9NO2/c1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h2-7H,1H3
InChIKeyHMZDGMVJEGFPHU-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.06
Rot. Bonds2

About 2-methoxyquinoline-3-carbaldehyde

2-methoxyquinoline-3-carbaldehyde (PubChem CID 838868) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-methoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-methoxyquinoline-3-carbaldehyde
PubChem CID838868
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-methoxyquinoline-3-carbaldehyde
SMILESCOc1nc2ccccc2cc1C=O
InChIInChI=1S/C11H9NO2/c1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h2-7H,1H3
InChIKeyHMZDGMVJEGFPHU-UHFFFAOYSA-N
XLogP2.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyquinoline-3-carbaldehyde?
The IUPAC name of 2-methoxyquinoline-3-carbaldehyde (CID 838868) is 2-methoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 2-methoxyquinoline-3-carbaldehyde?
The canonical SMILES for 2-methoxyquinoline-3-carbaldehyde is COc1nc2ccccc2cc1C=O.
What is the InChIKey of 2-methoxyquinoline-3-carbaldehyde?
The InChIKey is HMZDGMVJEGFPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h2-7H,1H3.
What are the key properties of 2-methoxyquinoline-3-carbaldehyde?
2-methoxyquinoline-3-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 838868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).